[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o287
[ doi:10.1107/S1600536813002006 ]

2-Benzhydryl-6-tert-butyl-4-methylphenol

S. Yoon, J. Lee and Y. Kim


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O - H0 ... ? PLAT922_ALERT_1_B wR2 in the CIF and FCF Differ by ............... -0.0181 PLAT927_ALERT_1_B Reported and Calculated wR2 Differ by ......... -0.0182
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.138 PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.138 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 45 Perc. PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0052 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 43.786 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.600 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.633 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 12 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.034
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 12 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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