Information card for entry 1506847

Structure parameters

• Chemical name: 12-[(N-beta-D-glucopyranosyl)carbamoyl]dodecanoic acid
• Formula: C20 H36 N Na O8
• Calculated formula: C20 H36 N Na O8
• SMILES: [Na+].C(CCCCC(=O)N[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CCCCCCCC(=O)[O-]
• Title of publication: Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles
• Authors of publication: Masuda, Mitsutoshi; Shimizu, Toshimi
• Journal of publication: Langmuir
• Year of publication: 2004
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 5969
• a: 8.6816 ± 0.0009 Å
• b: 4.8578 ± 0.0005 Å
• c: 26.25 ± 0.003 Å
• α: 90°
• β: 91.46 ± 0.002°
• γ: 90°
• Cell volume: 1106.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No