(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3144-o3145
[ doi:10.1107/S160053681204264X ]

N,N-Diethyl-2-(4-methylbenzenesulfonamido)benzamide

M. Altamura, V. Fedi, R. Nannicini, P. Paoli and P. Rossi

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.003 Å
R factor = 0.045
wR factor = 0.118
Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) .....         27      

Alert level C
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C18 H22 N2 O3 S                                                  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      5.031      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         13      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum ....          ?
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600       1297      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   3 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

   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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check