[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3180-o3181
[ doi:10.1107/S1600536812041992 ]

Methyl 3-O-[alpha]-L-fucopyranosyl [beta]-D-glucopyranoside tetrahydrate

L. Eriksson and G. Widmalm


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 9 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT975_ALERT_2_C Positive Residual Density at 0.77A from OW3 . 0.42 eA-3
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 36.32 From the CIF: _reflns_number_total 4836 Count of symmetry unique reflns 4848 Completeness (_total/calc) 99.75% 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 15 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 6 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 25 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 15 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 6 H2 O PLAT791_ALERT_4_G Note: The Model has Chirality at C1F (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C1G (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2F (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C2G (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C3F (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C3G (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C4F (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C4G (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5F (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5G (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 16
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 20 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 3 ALERT type 3 Indicator that the structure quality may be low 16 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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