[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1839-o1840
[ doi:10.1107/S1600536813031851 ]

Ethyl 6-(4-chloro­phen­yl)-4-(4-fluoro­phen­yl)-2-oxo­cyclo­hex-3-ene-1-carboxyl­ate

M. Sapnakumari, B. Narayana, H. S. Yathirajan, J. P. Jasinski and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = triclinic PLAT213_ALERT_2_B Atom C3C has ADP max/min Ratio ..... 4.4 oblate PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.3 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 6.1 Ratio PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C20B - C21B ... 1.43 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.205 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 37 Note PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT793_ALERT_4_G The Model has Chirality at C1A (Verify) R PLAT793_ALERT_4_G The Model has Chirality at C1B (Verify) R PLAT793_ALERT_4_G The Model has Chirality at C6A (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C6B (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C1C (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C6C (Verify) R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 177 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 239
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 8 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster