[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o158
[ doi:10.1107/S1600536812051495 ]

n-Propyl 2,3,4,6-tetra-O-acetyl-[beta]-D-glucopyranoside

B. Mönch, F. Emmerling, W. Kraus, R. Becker and I. Nehls


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT922_ALERT_1_B wR2 in the CIF and FCF Differ by ............... 0.0068 PLAT927_ALERT_1_B Reported and Calculated wR2 Differ by ......... 0.0067
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O8 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0063 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C12 - C13 ... 1.38 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C17 H26 O10 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... -0.038
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C2 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C17 PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (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 C10 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C11 (Verify) R
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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