Acta Cryst. (2006). E62, o458-o459  [ doi:10.1107/S1600536805042868 ]

(3aRS,7aRS)-3a-Hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione

X. Tian, Y. Wu, N. Gong, Y. Lu and W. Fang

Online 7 January 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.003 Å
• R factor = 0.055
• wR factor = 0.147
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ...       1.19       
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       
PLAT432_ALERT_2_B Short Inter X...Y Contact  O2     ..  C6      ..       2.91 Ang.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C8 H8 O4                                                          

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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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