(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1829 [ doi:10.1107/S1600536811024007 ]

1-Benzyl-2-phenyl-1H-benzimidazole-4,4'-(cyclohexane-1,1-diyl)diphenol (1/1)

C. Ge, R. Zhang, X. Zhang and S. Li

Online 25 June 2011

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.069
wR factor = 0.140
Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.965      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H29    ..  O2      ..       2.64 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        114      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         91      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00500 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C20 H16 N2                                                       

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check