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Acta Cryst. (2012). E68, o126  [ doi:10.1107/S1600536811052962 ]

(11aS)-7-Bromo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione

C. Ma, Z.-Z. Wang, L. Pan, Y. Tian and W. Xiao

Online 14 December 2011


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Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.29
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 25.99 From the CIF: _reflns_number_total 2244 Count of symmetry unique reflns 1359 Completeness (_total/calc) 165.12% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 885 Fraction of Friedel pairs measured 0.651 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 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 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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