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Acta Cryst. (2012). E68, o40  [ doi:10.1107/S1600536811051257 ]

6,6'-Di-tert-butyl-4,4'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenol

R.-F. Ding, Q.-B. Wang and X.-M. Wen

Online 7 December 2011


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Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 8
Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.271 PLAT084_ALERT_2_C High wR2 Value ................................. 0.27 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0055 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 30
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00700 Ang. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00600 Deg. PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT931_ALERT_5_G Check Twin Law ( 1 1 0)[ ] Estimated BASF 0.30
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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