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Acta Cryst. (2011). E67, o1638  [ doi:10.1107/S1600536811021933 ]


B. Boualy, M. A. Harrad, L. El Firdoussi, M. A. Ali and C. Rizzoli

Online 11 June 2011

Key indicators

checkCIF/PLATON results

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Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 40 Perc.
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C8 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 69.81 From the CIF: _reflns_number_total 1576 Count of symmetry unique reflns 1170 Completeness (_total/calc) 134.70% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 406 Fraction of Friedel pairs measured 0.347 Are heavy atom types Z>Si present yes PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) R PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.02
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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