 
data_2009skc0163
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C11 H24 O2'
_chemical_formula_weight          188.30
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            triclinic
_symmetry_space_group_name_H-M    P-1
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    9.4410(3)
_cell_length_b                    10.7119(3)
_cell_length_c                    13.1912(4)
_cell_angle_alpha                 73.838(2)
_cell_angle_beta                  86.183(2)
_cell_angle_gamma                 70.395(2)
_cell_volume                      1206.51(6)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     13190
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.32
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.16
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.037
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              424
_exptl_absorpt_coefficient_mu     0.068
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9784
_exptl_absorpt_correction_T_max   0.9891
_exptl_absorpt_process_details    'SADABS 2007/2 (Sheldrick, G.M., 2007)' 
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature           120(2)
_diffrn_radiation_wavelength           0.71073
_diffrn_radiation_type                      MoK\a
_diffrn_radiation_source                  'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator    'graphite'
_diffrn_measurement_device_type   
'Bruker-Nonius Roper CCD camera on κ-goniostat'
_diffrn_measurement_method          'φ & ω scans'
_diffrn_detector_area_resol_mean   '9.091'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             25767
_diffrn_reflns_av_R_equivalents   0.0582
_diffrn_reflns_av_sigmaI/netI     0.0536
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_theta_min          2.97
_diffrn_reflns_theta_max          27.48
_reflns_number_total              5523
_reflns_number_gt                 3893
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        
'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'  
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0552P)²+0.3296P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          5523
_refine_ls_number_parameters      239
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0835
_refine_ls_R_factor_gt            0.0528
_refine_ls_wR_factor_ref          0.1346
_refine_ls_wR_factor_gt           0.1198
_refine_ls_goodness_of_fit_ref    1.029
_refine_ls_restrained_S_all       1.029
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
C1 C 0.85184(16) -0.19263(14) 0.13613(12) 0.0231(3) Uani 1 1 d . . .
C2 C 0.80969(18) -0.07015(15) 0.03766(13) 0.0300(4) Uani 1 1 d . . .
H2A H 0.8791 -0.0931 -0.0192 0.036 Uiso 1 1 calc R . .
H2B H 0.7066 -0.0544 0.0132 0.036 Uiso 1 1 calc R . .
C3 C 1.00561(17) -0.20844(16) 0.18055(13) 0.0285(4) Uani 1 1 d . . .
H3A H 1.0004 -0.1202 0.1934 0.034 Uiso 1 1 calc R . .
H3B H 1.0262 -0.2794 0.2494 0.034 Uiso 1 1 calc R . .
C4 C 0.86146(17) -0.32068(15) 0.10083(12) 0.0246(3) Uani 1 1 d . . .
H4A H 0.7648 -0.3023 0.0650 0.029 Uiso 1 1 calc R . .
H4B H 0.9406 -0.3324 0.0478 0.029 Uiso 1 1 calc R . .
C5 C 0.89490(17) -0.45680(15) 0.18704(12) 0.0239(3) Uani 1 1 d . . .
H5A H 0.9726 -0.4633 0.2369 0.029 Uiso 1 1 calc R . .
H5B H 0.8026 -0.4582 0.2269 0.029 Uiso 1 1 calc R . .
C6 C 0.94953(18) -0.58083(15) 0.14234(12) 0.0268(3) Uani 1 1 d . . .
H6A H 1.0335 -0.5723 0.0948 0.032 Uiso 1 1 calc R . .
H6B H 0.8668 -0.5796 0.0994 0.032 Uiso 1 1 calc R . .
C7 C 1.00253(18) -0.71880(16) 0.22582(14) 0.0315(4) Uani 1 1 d . . .
H7A H 1.0358 -0.7934 0.1913 0.047 Uiso 1 1 calc R . .
H7B H 0.9195 -0.7296 0.2722 0.047 Uiso 1 1 calc R . .
H7C H 1.0864 -0.7222 0.2677 0.047 Uiso 1 1 calc R . .
C8 C 0.73876(16) -0.17041(15) 0.22460(12) 0.0233(3) Uani 1 1 d . . .
H8A H 0.7718 -0.2527 0.2859 0.028 Uiso 1 1 calc R . .
H8B H 0.7438 -0.0912 0.2471 0.028 Uiso 1 1 calc R . .
C9 C 0.57474(16) -0.14418(16) 0.19762(12) 0.0258(3) Uani 1 1 d . . .
H9A H 0.5701 -0.2115 0.1606 0.031 Uiso 1 1 calc R . .
H9B H 0.5327 -0.0509 0.1489 0.031 Uiso 1 1 calc R . .
C10 C 0.47842(17) -0.15575(17) 0.29518(13) 0.0303(4) Uani 1 1 d . . .
H10A H 0.5137 -0.2519 0.3401 0.036 Uiso 1 1 calc R . .
H10B H 0.4921 -0.0961 0.3365 0.036 Uiso 1 1 calc R . .
C11 C 0.31212(18) -0.11472(19) 0.26817(16) 0.0407(5) Uani 1 1 d . . .
H11A H 0.2557 -0.1236 0.3334 0.061 Uiso 1 1 calc R . .
H11B H 0.2974 -0.1751 0.2290 0.061 Uiso 1 1 calc R . .
H11C H 0.2760 -0.0190 0.2247 0.061 Uiso 1 1 calc R . .
C21 C 0.47055(15) 0.35592(14) 0.22468(11) 0.0206(3) Uani 1 1 d . . .
C22 C 0.49585(16) 0.48732(15) 0.15525(12) 0.0252(3) Uani 1 1 d . . .
H22A H 0.5016 0.5450 0.2009 0.030 Uiso 1 1 calc R . .
H22B H 0.5937 0.4615 0.1208 0.030 Uiso 1 1 calc R . .
C23 C 0.43378(16) 0.27741(16) 0.15463(12) 0.0248(3) Uani 1 1 d . . .
H23A H 0.4160 0.1940 0.2006 0.030 Uiso 1 1 calc R . .
H23B H 0.3391 0.3362 0.1141 0.030 Uiso 1 1 calc R . .
C24 C 0.61872(16) 0.27013(15) 0.28833(12) 0.0222(3) Uani 1 1 d . . .
H24A H 0.6975 0.2417 0.2381 0.027 Uiso 1 1 calc R . .
H24B H 0.6482 0.3309 0.3209 0.027 Uiso 1 1 calc R . .
C25 C 0.61944(17) 0.14144(15) 0.37523(12) 0.0256(3) Uani 1 1 d . . .
H25A H 0.5535 0.1691 0.4323 0.031 Uiso 1 1 calc R . .
H25B H 0.5780 0.0847 0.3460 0.031 Uiso 1 1 calc R . .
C26 C 0.77729(18) 0.05523(16) 0.42136(13) 0.0296(4) Uani 1 1 d . . .
H26A H 0.8445 0.0322 0.3635 0.036 Uiso 1 1 calc R . .
H26B H 0.8163 0.1105 0.4539 0.036 Uiso 1 1 calc R . .
C27 C 0.7812(2) -0.07774(17) 0.50411(14) 0.0378(4) Uani 1 1 d . . .
H27A H 0.8847 -0.1291 0.5311 0.057 Uiso 1 1 calc R . .
H27B H 0.7448 -0.1340 0.4720 0.057 Uiso 1 1 calc R . .
H27C H 0.7166 -0.0556 0.5624 0.057 Uiso 1 1 calc R . .
C28 C 0.33430(16) 0.39071(15) 0.29541(12) 0.0216(3) Uani 1 1 d . . .
H28A H 0.2440 0.4458 0.2490 0.026 Uiso 1 1 calc R . .
H28B H 0.3190 0.3034 0.3354 0.026 Uiso 1 1 calc R . .
C29 C 0.34286(17) 0.46909(16) 0.37420(13) 0.0270(4) Uani 1 1 d . . .
H29A H 0.4369 0.4190 0.4175 0.032 Uiso 1 1 calc R . .
H29B H 0.3469 0.5611 0.3349 0.032 Uiso 1 1 calc R . .
C30 C 0.20966(17) 0.48658(16) 0.44684(12) 0.0264(3) Uani 1 1 d . . .
H30A H 0.1154 0.5293 0.4033 0.032 Uiso 1 1 calc R . .
H30B H 0.2108 0.3946 0.4904 0.032 Uiso 1 1 calc R . .
C31 C 0.2101(2) 0.5744(2) 0.51909(15) 0.0437(5) Uani 1 1 d . . .
H31A H 0.1218 0.5823 0.5635 0.066 Uiso 1 1 calc R . .
H31B H 0.2070 0.6663 0.4765 0.066 Uiso 1 1 calc R . .
H31C H 0.3018 0.5314 0.5640 0.066 Uiso 1 1 calc R . .
O1 O 1.12712(12) -0.24596(11) 0.11311(10) 0.0372(3) Uani 1 1 d . . .
H1 H 1.1260 -0.1765 0.0635 0.056 Uiso 1 1 calc R . .
O2 O 0.81557(13) 0.05456(11) 0.05496(11) 0.0400(3) Uani 1 1 d . . .
H2 H 0.7328 0.0958 0.0776 0.060 Uiso 1 1 calc R . .
O21 O 0.38066(13) 0.56718(11) 0.07566(9) 0.0345(3) Uani 1 1 d . . .
H21 H 0.3053 0.6132 0.1028 0.052 Uiso 1 1 calc R . .
O22 O 0.54809(13) 0.23675(11) 0.08211(9) 0.0313(3) Uani 1 1 d . . .
H22 H 0.5601 0.3072 0.0400 0.047 Uiso 1 1 calc R . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
C1 C2 1.529(2) . ?
C1 C3 1.540(2) . ?
C1 C4 1.540(2) . ?
C1 C8 1.5416(19) . ?
C2 O2 1.436(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 O1 1.4223(18) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.528(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.521(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.523(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.526(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.526(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.520(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C21 C23 1.534(2) . ?
C21 C22 1.535(2) . ?
C21 C24 1.540(2) . ?
C21 C28 1.5414(19) . ?
C22 O21 1.4299(19) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 O22 1.4313(17) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.526(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.526(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.525(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.528(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.522(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.515(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
O1 H1 0.8400 . ?
O2 H2 0.8400 . ?
O21 H21 0.8400 . ?
O22 H22 0.8400 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C2 C1 C3 108.97(13) . . ?
C2 C1 C4 106.72(12) . . ?
C3 C1 C4 110.35(12) . . ?
C2 C1 C8 111.90(11) . . ?
C3 C1 C8 106.51(12) . . ?
C4 C1 C8 112.39(12) . . ?
O2 C2 C1 113.34(14) . . ?
O2 C2 H2A 108.9 . . ?
C1 C2 H2A 108.9 . . ?
O2 C2 H2B 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
O1 C3 C1 113.86(14) . . ?
O1 C3 H3A 108.8 . . ?
C1 C3 H3A 108.8 . . ?
O1 C3 H3B 108.8 . . ?
C1 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C5 C4 C1 116.80(12) . . ?
C5 C4 H4A 108.1 . . ?
C1 C4 H4A 108.1 . . ?
C5 C4 H4B 108.1 . . ?
C1 C4 H4B 108.1 . . ?
H4A C4 H4B 107.3 . . ?
C6 C5 C4 112.29(12) . . ?
C6 C5 H5A 109.1 . . ?
C4 C5 H5A 109.1 . . ?
C6 C5 H5B 109.1 . . ?
C4 C5 H5B 109.1 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 C7 114.13(13) . . ?
C5 C6 H6A 108.7 . . ?
C7 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
C7 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C1 116.59(13) . . ?
C9 C8 H8A 108.1 . . ?
C1 C8 H8A 108.1 . . ?
C9 C8 H8B 108.1 . . ?
C1 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C8 C9 C10 112.62(13) . . ?
C8 C9 H9A 109.1 . . ?
C10 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
C10 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 112.91(14) . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C23 C21 C22 109.68(12) . . ?
C23 C21 C24 110.88(11) . . ?
C22 C21 C24 105.97(12) . . ?
C23 C21 C28 106.36(12) . . ?
C22 C21 C28 111.08(11) . . ?
C24 C21 C28 112.90(12) . . ?
O21 C22 C21 113.66(13) . . ?
O21 C22 H22A 108.8 . . ?
C21 C22 H22A 108.8 . . ?
O21 C22 H22B 108.8 . . ?
C21 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
O22 C23 C21 114.58(12) . . ?
O22 C23 H23A 108.6 . . ?
C21 C23 H23A 108.6 . . ?
O22 C23 H23B 108.6 . . ?
C21 C23 H23B 108.6 . . ?
H23A C23 H23B 107.6 . . ?
C25 C24 C21 117.40(12) . . ?
C25 C24 H24A 108.0 . . ?
C21 C24 H24A 108.0 . . ?
C25 C24 H24B 108.0 . . ?
C21 C24 H24B 108.0 . . ?
H24A C24 H24B 107.2 . . ?
C26 C25 C24 112.07(12) . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C27 C26 C25 112.72(13) . . ?
C27 C26 H26A 109.0 . . ?
C25 C26 H26A 109.0 . . ?
C27 C26 H26B 109.0 . . ?
C25 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C21 116.98(12) . . ?
C29 C28 H28A 108.1 . . ?
C21 C28 H28A 108.1 . . ?
C29 C28 H28B 108.1 . . ?
C21 C28 H28B 108.1 . . ?
H28A C28 H28B 107.3 . . ?
C30 C29 C28 112.74(13) . . ?
C30 C29 H29A 109.0 . . ?
C28 C29 H29A 109.0 . . ?
C30 C29 H29B 109.0 . . ?
C28 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C31 C30 C29 113.21(14) . . ?
C31 C30 H30A 108.9 . . ?
C29 C30 H30A 108.9 . . ?
C31 C30 H30B 108.9 . . ?
C29 C30 H30B 108.9 . . ?
H30A C30 H30B 107.7 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C3 O1 H1 109.5 . . ?
C2 O2 H2 109.5 . . ?
C22 O21 H21 109.5 . . ?
C23 O22 H22 109.5 . . ?
 
loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_site_symmetry_A
O2 H2 O22  0.84 1.90 2.6973(15) 159.2 .
O1 H1 O2  0.84 1.92 2.7323(17) 162.3 2_755
O21 H21 O1  0.84 1.87 2.6754(14) 159.5 1_465
O22 H22 O21  0.84 1.92 2.7429(16) 164.6 2_665
 
_diffrn_measured_fraction_theta_max    0.997
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.997
_refine_diff_density_max    0.209
_refine_diff_density_min   -0.228
_refine_diff_density_rms    0.045
