(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1876-o1877 [ doi:10.1107/S160053681102527X ]

9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3H-xanthene-1,8(2H,7H)-dione

H.-K. Fun, W.-S. Loh, K. Rajesh, V. Vijayakumar and S. Sarveswari

Online 2 July 2011

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.001 Å
R factor = 0.039
wR factor = 0.119
Data-to-parameter ratio = 33.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.85      
PLAT142_ALERT_4_C su on b - Axis Small or Missing ................    0.00010 Ang. 
PLAT143_ALERT_4_C su on c - Axis Small or Missing ................    0.00010 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        123      

Alert level G
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00010 Ang. 
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00100 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          S      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 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

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