[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3413-o3414
[ doi:10.1107/S1600536812046600 ]

(25R)-6[alpha]-Hydroxy-5[alpha]-spirostan-3[beta]-yl tosylate

M. A. Fernández-Herrera, J. Sandoval-Ramírez, S. Bernès, M. Rodríguez-Acosta and M.-G. Hernández Linares


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.3 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C37 -- C38 .. 5.5 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C38 PLAT480_ALERT_4_C Long H...A H-Bond Reported H40A .. O34 .. 2.65 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
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 26.25 From the CIF: _reflns_number_total 6167 Count of symmetry unique reflns 3666 Completeness (_total/calc) 168.22% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2501 Fraction of Friedel pairs measured 0.682 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 C3 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) S 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) R PLAT791_ALERT_4_G Note: The Model has Chirality at C13 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C16 (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) S PLAT791_ALERT_4_G Note: The Model has Chirality at C22 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C25 (Verify) R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
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 16 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 3 ALERT type 3 Indicator that the structure quality may be low 16 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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