(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1001-o1003 [ doi:10.1107/S1600536805007865 ]

erythro-2-(2,6-Dimethoxy-4-methylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

V. Langer, K. Lundquist and G. E. Miksche

Online 18 March 2005

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.004 Å
R factor = 0.049
wR factor = 0.120
Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H7A    ..  O1      ..       2.61 Ang.  
PLAT726_ALERT_1_C H...A   Calc     2.41821, Rep     2.43000 Dev...       0.01 Ang.  
              H8A  -O5      1.555   1.555                                       
PLAT728_ALERT_1_C D-H..A  Calc      110.86, Rep      112.00 Dev...       1.14 Deg.  
              O8   -H8A  -O4      1.555   1.555   1.555                         
PLAT728_ALERT_1_C D-H..A  Calc      155.30, Rep      154.00 Dev...       1.30 Deg.  
              O8   -H8A  -O5      1.555   1.555   1.555                         

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

   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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion