(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o2607-o2608 [ doi:10.1107/S1600536811036294 ]

Caloxanthone C: a pyranoxanthone from the stem bark of Calophyllum soulattri

G. C. L. Ee, S. H. Mah, H. C. Kwong, S. S. Teh, M. I. Mohamed Tahir and S. Silong

Online 14 September 2011

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.003 Å
R factor = 0.056
wR factor = 0.170
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         61      
PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S .      20.86      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT809_ALERT_1_G Can not Parse the SHELXL Weighting Scheme String          !
PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked          !
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          7      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: Mah, Siau Hui and Teh, Soek Sin are the students who response to isolate the titled compound and grow the corresponding crystal. Kwong, Huey Chong is the student who response to edit CIF and write out the comment about the structure. Dr. Mohamed Tahir, Mohamed Ibrahim is the crystallographer who collects and refines the structure. Dr. Silong, Sidik is response to check and edit the comment about the structure. Prof. Dr Ee, Gwendoline Cheng Lian coordinate the plant selection for Isolation and method of isolation.


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing