[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o731
[ doi:10.1107/S1600536813009112 ]

(1R,2S,5R)-(-)-Menthyl (S)-2-(methoxycarbonyl)benzenesulfinate

M. Altamura, A. Guidi, L. Jierry, P. Paoli and P. Rossi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5868 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.587 60 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 53 Perc.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.038 PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) R 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 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 81 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 6 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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