[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o648
[ doi:10.1107/S1600536813007800 ]

(E)-6-(4-Chlorophenyl)-4-[(2-cyano-3-phenylallyl)sulfanyl]-2,2-difluoro-3-phenyl-1,3,2-oxazaborinin-3-ium-2-uide

M. Li, S.-W. Wang and L.-R. Wen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 12.735 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.031 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C17 - C18 ... 1.44 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 40 N1 -C17 -C18 -C19 157.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 41 N1 -C17 -C18 -C16 -26.00 14.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 11
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster