[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3185
[ doi:10.1107/S1600536812042912 ]

(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one

T. Oishi, H. Oishi, S. Tsuzaki, T. Sato and N. Chida


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT431_ALERT_2_C Short Inter HL..A Contact Cl19 .. O4 . 3.07 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact Cl20 .. O7 . 3.14 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 28 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 81 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 25.12 From the CIF: _reflns_number_total 2364 Count of symmetry unique reflns 1446 Completeness (_total/calc) 163.49% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 918 Fraction of Friedel pairs measured 0.635 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C10 (Verify) S PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 93 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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