(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o1643-o1644 [ doi:10.1107/S1600536808022368 ]

Hoodigogenin A from Hoodia gordonii

Y. J. Shukla, F. R. Fronczek, R. S. Pawar and I. A. Khan

Online 31 July 2008

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.041
wR factor = 0.101
Data-to-parameter ratio = 9.3

checkCIF/PLATON results

No syntax errors found




Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.70
           From the CIF: _reflns_number_total               2677
           Count of symmetry unique reflns         2757
           Completeness (_total/calc)             97.10%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C3     ...          S      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C8     ...          R      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C9     ...          S      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C10    ...          R      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C12    ...          R      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C13    ...          S      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C14    ...          S      
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C17    ...          S      

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

   0 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
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check