[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3485
[ doi:10.1107/S1600536812048544 ]

(E)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one

S. Liu, X.-Y. Yang and Y.-L. Zhang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for Cl -- C5 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 -- C8 .. 6.0 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang PLAT414_ALERT_2_C Short Intra D-H..H-X H1A .. H7A .. 1.95 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 13.198 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.439
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 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 4 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster