(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5411-o5413 [ doi:10.1107/S1600536806045430 ]

1L-1-Amino-1-deoxy-2,3,4,5-tetra-O-methyl-scyllo-inositol

G. J. Gainsford, C. Lensink, A. Falshaw and S. P. H. Mee

Online 8 November 2006

Key indicators

Single-crystal X-ray study
T = 88 K
Mean (C-C) = 0.004 Å
R factor = 0.033
wR factor = 0.065
Data-to-parameter ratio = 9.1

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           26.40
           From the CIF: _reflns_number_total               1471
           Count of symmetry unique reflns         1476
           Completeness (_total/calc)             99.66%
           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_1_G Confirm the Absolute Configuration of C1     = .          R      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C2     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C3     = .          R      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C4     = .          R      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C5     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C6     = .          R      

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

   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check