[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o794
[ doi:10.1107/S1600536813008659 ]

(4aR,9R,9aR)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one

C. Wu, Y.-J. Guo and A.-B. Xia


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for Br1 -- C1 .. 5.2 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0085 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H3 .. O1 .. 2.71 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.234 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 83 Perc.
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 C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C10 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C11 (Verify) R
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 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 3 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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