[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o263
[ doi:10.1107/S1600536813001426 ]

(2S,4R)-2-[(1R)-1-(4-Bromophenyl)-2-nitroethyl]-4-ethylcyclohexanone

C.-X. Zhang, Y.-P. Zhang and A.-B. Xia


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc. PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C5 .. 5.2 su PLAT234_ALERT_4_C Large Hirshfeld Difference C11 -- C12 .. 0.17 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0099 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.824 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) R
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 1 ALERT type 5 Informative message, check

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