Acta Cryst. (2006). E62, o1546-o1547  [ doi:10.1107/S1600536806010221 ]

5,9,14-Trimethyl-4,12-dioxatricyclo[9.3.0.0^3,5]tetradeca-1(11),8,13-trien-2-one (zederone)

K. S. Chan, Z. Zakaria, S. N. A. Malek and B. M. Yamin

Online 25 March 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.034
• wR factor = 0.097
• Data-to-parameter ratio = 8.8

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           26.00
           From the CIF: _reflns_number_total               1465
           Count of symmetry unique reflns         1466
           Completeness (_total/calc)             99.93%
           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
   0 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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