Acta Cryst. (2006). E62, o5472-o5474  [ doi:10.1107/S1600536806046228 ]

(1S*,2S*,5S*,9S*,10S*,11R*,18R*)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylene-17-oxapentacyclo[7.6.2.1^5,8.0^1,11.0^2,8]octadecane-7,15-dione

H. Shi, M.-L. Huang and Y.-P. Lü

Online 8 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.038
• wR factor = 0.096
• Data-to-parameter ratio = 8.1

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.778     1.000
            Tmin(prime) and Tmax expected:      0.948     0.980
            RR(prime) =      0.805
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.80      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.61 Ratio

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           27.00
           From the CIF: _reflns_number_total               2029
           Count of symmetry unique reflns         2040
           Completeness (_total/calc)             99.46%
           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
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C1     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C2     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C5     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C9     = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C10    = .          S      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C11    = .          R      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C18    = .          R      

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

   9 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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