[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3124
[ doi:10.1107/S1600536812042249 ]

5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran

H. D. Choi, P. J. Seo and U. Lee


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT413_ALERT_2_B Short Inter XH3 .. XHn H21A .. H15B .. 1.90 Ang.
Author Response: : Because of disorder.
PLAT413_ALERT_2_B Short Inter XH3 .. XHn     H21A   ..  H16B    ..       1.98 Ang. 
Author Response: : Because of disorder.
PLAT413_ALERT_2_B Short Inter XH3 .. XHn     H21C   ..  H18B    ..       2.08 Ang. 
Author Response: : Because of disorder.

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.37 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0041 Ang PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C1 - C8 ... 1.36 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 12 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 25 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 14 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 54 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 4 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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