[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1858
[ doi:10.1107/S1600536813032066 ]

(S)-4,5-Diphenyl-1-[1-phenyl-3-(phenyl­sulfan­yl)propan-2-yl]-2-(thio­phen-2-yl)-1H-imidazole

J. Gao, H. Wang, L. Yang, Y. Xiao and P. Mao


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C18 -- C19 .. 6.8 su PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C18 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C20 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C24 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C31 Check PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0059 Ang.
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 7 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT230_ALERT_2_G Hirshfeld Test Diff for S1 -- C34 .. 6.4 su PLAT230_ALERT_2_G Hirshfeld Test Diff for C31 -- C32 .. 6.2 su PLAT230_ALERT_2_G Hirshfeld Test Diff for C31 -- C32A .. 5.3 su PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 11 Note PLAT791_ALERT_4_G The Model has Chirality at C22 (Verify) S PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.02 PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 18 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 72 %
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 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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