[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3391
[ doi:10.1107/S1600536812046557 ]

Iododurene

N. Hamdouni, O. Brihi, M. L. Medjroubi, J. Meinnel and A. Boudjada


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
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 27.50 From the CIF: _reflns_number_total 2271 Count of symmetry unique reflns 1346 Completeness (_total/calc) 168.72% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 925 Fraction of Friedel pairs measured 0.687 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 36 PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked ! PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 7
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 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 2 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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