[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3188
[ doi:10.1107/S1600536812042845 ]


U. Chaithanya, S. Foro and B. T. Gowda

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.25 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.626 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00900 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C27 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 18 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 13
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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