Information card for entry 7204913

Structure parameters

• Chemical name: methyl 6-O-propanoyl-beta-D-glucopyranoside
• Formula: C10 H18 O7
• Calculated formula: C10 H18 O7
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](COC(=O)CC)O1)O)O)O)OC
• Title of publication: Crystal structures of glycolipids with odd and even numbered alkyl chains
• Authors of publication: Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 341
• a: 7.932 ± 0.001 Å
• b: 7.101 ± 0.001 Å
• c: 10.984 ± 0.001 Å
• α: 90°
• β: 101.11 ± 0.01°
• γ: 90°
• Cell volume: 607.08 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No