(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o214 [ doi:10.1107/S160053680905394X ]

4-Chloro-N-(2-methoxyphenyl)benzamide

A. Saeed, R. A. Khera and J. Simpson

Online 19 December 2009

Key indicators

Single-crystal X-ray study
T = 89 K
Mean (C-C) = 0.002 Å
R factor = 0.039
wR factor = 0.129
Data-to-parameter ratio = 24.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         63      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        538      

Alert level G
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.68 mm   
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        300 Deg. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   1 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
   3 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