Alert level A
PLAT234_ALERT_4_A Large Hirshfeld Difference C24 -- C27 .. 0.31 Ang.
Alert level B
THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575
Calculated sin(theta_max)/wavelength = 0.5534
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 36 Perc.
PLAT230_ALERT_2_B Hirshfeld Test Diff for Si1 -- C22 .. 15.37 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for C24 -- C25 .. 10.31 su
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C24
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 17
Alert level C
DENSD01_ALERT_1_C The ratio of the submitted crystal density and that
calculated from the formula is outside the range 0.99 <> 1.01
Crystal density given = 1.190
Calculated crystal density = 1.169
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.331
RINTA01_ALERT_3_C The value of Rint is greater than 0.12
Rint given 0.179
PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.18
PLAT084_ALERT_2_C High R2 Value .................................. 0.33
PLAT213_ALERT_2_C Atom C24 has ADP max/min Ratio ..... 3.30 prola
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.23 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.90 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C7
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O3
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18
PLAT361_ALERT_2_C Long C(sp3)-C(sp3) Bond C24 - C25 ... 1.66 Ang.
PLAT361_ALERT_2_C Long C(sp3)-C(sp3) Bond C24 - C26 ... 1.69 Ang.
PLAT046_ALERT_1_C Reported Z, MW and D(calc) are Inconsistent .... 1.17
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
PLAT234_ALERT_4_C Large Hirshfeld Difference N1 -- C8 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C2 -- C3 .. 0.19 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C24 -- C26 .. 0.24 Ang.
Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.14
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R
PLAT793_ALERT_4_G The Model has Chirality at C16 (Verify) .... R
PLAT793_ALERT_4_G The Model has Chirality at C17 (Verify) .... S
PLAT793_ALERT_4_G The Model has Chirality at C20 (Verify) .... R
1 ALERT level A = In general: serious problem 6 ALERT level B = Potentially serious problem 23 ALERT level C = Check and explain 8 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
