(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o993 [ doi:10.1107/S1600536808008763 ]

2,4,6-Trimethyl-1,3,5-tris(morpholinomethyl)benzene

H.-J. Ma, C. Xu, Z.-Q. Wang, L. Zhou and B.-M. Ji

Online 3 May 2008

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.002 Å
R factor = 0.044
wR factor = 0.126
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.64 Ratio
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H7A    ..  H8D     ..       1.80 Ang. 
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H9A    ..  H10D    ..       1.80 Ang. 
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H10A   ..  H11A    ..       1.80 Ang. 
PLAT715_ALERT_1_C D-H     Unknown or Inconsistent Label ..........        H11     
                    C11    H11                                                 
PLAT715_ALERT_1_C D-H     Unknown or Inconsistent Label ..........         H7     
                    C7     H7                                                  
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........        H11     
                    H11    CG1                                                 
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........         H7     
                    H7     CG2                                                 
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........        H11     
                    C11    H11    CG1                                          
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........         H7     
                    C7     H7     CG2                                          

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

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check