Acta Cryst. (2004). E60, o1520-o1522  [ doi:10.1107/S1600536804019245 ]

O²,O³:O⁴,O⁵-Bis(phenylboranediyl)--D-fructopyranose acetone solvate

S. P. Draffin, P. J. Duggan and G. D. Fallon

Online 13 August 2004

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.003 Å
• R factor = 0.037
• wR factor = 0.084
• Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found




Alert level C
STRVA01_ALERT_4_C           Flack parameter is too small
           From the CIF: _refine_ls_abs_structure_Flack   -1.100
           From the CIF: _refine_ls_abs_structure_Flack_su    0.900
PLAT032_ALERT_4_C Std Uncertainty in Flack Parameter too High ....       0.90       
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......      -1.10       
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         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           28.30
           From the CIF: _reflns_number_total               2871
           Count of symmetry unique reflns         2924
           Completeness (_total/calc)             98.19%
           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
   4 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
   4 ALERT type 4 Improvement, methodology, query or suggestion

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