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Acta Cryst. (2010). E66, o1315  [ doi:10.1107/S1600536810016612 ]


S. F. Jenkinson, D. Best, K. Izumori, F. X. Wilson, A. C. Weymouth-Wilson, G. W. J. Fleet and A. L. Thompson

Online 12 May 2010

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2
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 27.41 From the CIF: _reflns_number_total 978 Count of symmetry unique reflns 988 Completeness (_total/calc) 98.99% 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 PLAT791_ALERT_4_G The Model has Chirality at C3 (Verify) .... S PLAT791_ALERT_4_G The Model has Chirality at C5 (Verify) .... S PLAT791_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT791_ALERT_4_G The Model has Chirality at C9 (Verify) .... S PLAT791_ALERT_4_G The Model has Chirality at C10 (Verify) .... R PLAT808_ALERT_5_G No Parsable SHELXL style Weighting Scheme Found ! PLAT929_ALERT_4_G No Interpretable (SHELX) Weight Parameters found ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 8 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 3 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: Sarah F. Jenkinson - Postdoctoral researcher and crystallographer; Daniel Best - DPhil synthetic chemist; Ken Izumori - Biotechnology group leader; Francis X. Wilson - Industrial collaborator; George W. J. Fleet - Synthesis group leader; Amber L. Thompson - Senior crystallographer.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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