(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o2387 [ doi:10.1107/S1600536809034485 ]

9-Methoxy-6a,11a-dimethyl-6a,11a-dihydro-6H-1-benzofuro[3,2-c]chromen-3-ol from Dalbergia oliveri

S. Deesamer, W. Chavasiri, N. Chaichit, N. Muangsin and U. Kokpol

Online 9 September 2009

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.034
wR factor = 0.093
Data-to-parameter ratio = 10.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated ..........          !
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum ....          ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max   datum ....          ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min   datum ....          ?

Alert level G
REFLT03_ALERT_4_G  ALERT: MoKa measured Friedel data cannot be used to
                   determine absolute structure in a light-atom
                   study EXCEPT under VERY special conditions.
                   It is preferred that Friedel data is merged in such cases.
           From the CIF: _diffrn_reflns_theta_max           30.41
           From the CIF: _reflns_number_total               3198
           Count of symmetry unique reflns         2091
           Completeness (_total/calc)            152.94%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1107
           Fraction of Friedel pairs measured     0.529
           Are heavy atom types Z>Si present         no
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      
PLAT791_ALERT_4_G The Model has Chirality at C6A     (Verify) ....          S      
PLAT791_ALERT_4_G The Model has Chirality at C11A    (Verify) ....          S      

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

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