Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95
PLAT230_ALERT_2_B Hirshfeld Test Diff for C2 -- C3 .. 8.65 su
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C4
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C21
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.01 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C3 - C4 ... 1.36 Ang.
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C4 - C5 ... 1.41 Ang.
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C21 - C22 ... 1.40 Ang.
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
Alert level G
REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to
determine absolute structure in a light-atom
study EXCEPT under VERY special conditions.
It is preferred that Friedel data is merged in such cases.
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _reflns_number_total 3904
Count of symmetry unique reflns 2557
Completeness (_total/calc) 152.68%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1347
Fraction of Friedel pairs measured 0.527
Are heavy atom types Z>Si present no
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.12
0 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
