[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3471
[ doi:10.1107/S160053681204679X ]

3[beta]-Chloro-N-methoxy-N-methylcholest-5-ene-24-carboxamide

K. González, K. Nieves and A. D. Rodríguez


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 -- C25 .. 13.0 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C8 -- C9 .. 10.0 su
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C7 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C12 -- C13 .. 6.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C16 -- C17 .. 6.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 -- C21 .. 6.5 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O2 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 C23
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.30 From the CIF: _reflns_number_total 6244 Count of symmetry unique reflns 3588 Completeness (_total/calc) 174.02% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2656 Fraction of Friedel pairs measured 0.740 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (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) S PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C15 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C19 (Verify) R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 5
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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