[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3071
[ doi:10.1107/S1600536812041141 ]

(3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one.

S. Drzymala, W. Kraus, F. Emmerling and M. Koch


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 87 Perc.
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 28.33 From the CIF: _reflns_number_total 4264 Count of symmetry unique reflns 4331 Completeness (_total/calc) 98.45% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 18 PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C3' (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C7' (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 62 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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