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Acta Cryst. (2013). E69, o1186  [ doi:10.1107/S160053681301725X ]

Methyl 3-[(chloro­meth­oxy)carbon­yloxy]-7-hy­droxy­cholan-24-oate

J.-L. Zhong, W.-X. Sun, F.-L. Zhang, L.-H. Liu and H. Liu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O2 - H2 ... ? Check
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 -- C10 .. 7.0 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT414_ALERT_2_C Short Intra D-H..H-X H2 .. H15A .. 1.98 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C10 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C13 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R 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 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 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 1 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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