Acta Cryst. (2003). E59, o1551-o1553  [ doi:10.1107/S1600536803017975 ]

(1R*,5R*,6S*,7R*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one

K. Blann, D. B. G. Williams, A. Roodt and A. Muller

Online 24 September 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.035
• wR factor = 0.067
• Data-to-parameter ratio = 8.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) .       3.24 Ratio   
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang..          5         
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ......          3         

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           28.27
           From the CIF: _reflns_number_total               1009
           Count of symmetry unique reflns         1008
           Completeness (_total/calc)            100.10%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         1
           Fraction of Friedel pairs measured     0.001
           Are heavy atom types Z>Si present           no

   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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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