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Acta Cryst. (2013). E69, o1057-o1058  [ doi:10.1107/S1600536813015092 ]

meso-4,4'-Dimethoxy-2,2'-{[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole-1,3-diyl]bis(methylene)}diphenol

A. Rivera, D. Quiroga, J. Ríos-Motta, M. Kuceraková and M. Dusek


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checkCIF/PLATON results

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Alert level B PLAT035_ALERT_1_B No _chemical_absolute_configuration info given . ?
Author Response: The structure contains only light atoms
PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L=  0.597        258      

Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 6.94 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 81 % PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... 0.0046 PLAT927_ALERT_1_C Reported and Calculated wR2 Differ by ......... 0.0045
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 30 PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C23 (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 100 % PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack ! PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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