[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1072  [ doi:10.1107/S1600536813015523 ]

10-{4-[(2-Hydroxybenzylidene)amino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

Z. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.767 Test value = 0.675 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.77 eA-3 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0050 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 14.760 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.174 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 24 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.077
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 62 PLAT931_ALERT_5_G Check Twin Law ( 1 0 0)[ ] Estimated BASF 0.45
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster