[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m7-m8
[ doi:10.1107/S1600536812048672 ]

Potassium (1R,4R,5S,8S)-4,5,8-trihydroxy-3-oxo-2,6-dioxabicyclo[3.3.0]octane-4-sulfonate dihydrate

A. H. Haines and D. L. Hughes


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT354_ALERT_3_C Short O-H Bond (0.82A) O5 - H5O ... 0.70 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.80 mm PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 4 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.24 Ratio PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (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 C4 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) S PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.04 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 99 Perc. 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 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 1 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 3 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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