(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2004). E60, o2133-o2134 [ doi:10.1107/S1600536804026510 ]

(S)-(-)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-benzodioxole

J. Cheng, Y.-H. Sun, Y. Pan and J.-H. Xu

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.034
wR factor = 0.081
Data-to-parameter ratio = 8.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.83 Ratio 
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C10    -C15           1.37 Ang.  
PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su ..       0.09       

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           25.20
           From the CIF: _reflns_number_total               1877
           Count of symmetry unique reflns         1880
           Completeness (_total/calc)             99.84%
           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          yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   3 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