(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2504-o2505 [ doi:10.1107/S1600536805021793 ]

N-Acetyl-N-phenylglycine

A.-Y. Fu and D.-Q. Wang

Online 13 July 2005

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.006 Å
R factor = 0.049
wR factor = 0.143
Data-to-parameter ratio = 10.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc. 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT731_ALERT_1_C Bond    Calc     0.97(2), Rep    0.968(9) ......       2.22 su-Rat
              C4   -H6      1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.71(3), Rep   1.707(12) ......       2.50 su-Rat
              H1   -O3      1.555   2.445                                       

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

   3 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
   1 ALERT type 4 Improvement, methodology, query or suggestion