[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3276
[ doi:10.1107/S1600536812044571 ]

Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate

G. Smith


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 12 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 5
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C31A -- C51A .. 0.17 Ang. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0098 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.649 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 8.71 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C31A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C31E PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 7 Perc. PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT931_ALERT_5_G Check Twin Law ( 0 0 1)[ ] Estimated BASF 0.13
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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