[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3437
[ doi:10.1107/S1600536812046867 ]

2,5-Dihexylthiophene 1,1-dioxide

J. Van Tonder, M. Gohain, N. Loganathan and B. C. B. Bezuidenhoudt


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C14 -- C15 .. 7.2 su
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C5 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C8 -- C9 .. 5.3 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0054 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.460 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 8
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 1.00 mm PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 39 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 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 4 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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