(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o1084-o1085 [ doi:10.1107/S1600536806005150 ]

2',7'-Bis(4-methoxyphenyl)spiro[cyclopropane-1,9'-9H-fluorene]

Z.-X. Wang, H.-Y. Lin and P. Lu

Online 22 February 2006

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
R factor = 0.041
wR factor = 0.119
Data-to-parameter ratio = 9.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H16C   ..  H16C    ..       2.10 Ang.  

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           27.50
           From the CIF: _reflns_number_total               1322
           Count of symmetry unique reflns         1330
           Completeness (_total/calc)             99.40%
           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

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

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