Information card for entry 7204909

Structure parameters

• Chemical name: methyl 6-O-pentanoyl-alpha-D-galactopyranoside
• Formula: C12 H22 O7
• Calculated formula: C12 H22 O7
• SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@@H](COC(=O)CCCC)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: 5.77 ± 0.001 Å
• b: 7.973 ± 0.001 Å
• c: 15.451 ± 0.001 Å
• α: 90°
• β: 93.69 ± 0.01°
• γ: 90°
• Cell volume: 709.34 ± 0.16 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: 0.0618
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1503
• Weighted residual factors for significantly intense reflections: 0.1438
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No