Information card for entry 1551313

Structure parameters

• Formula: C13 H27 N O6
• Calculated formula: C13 H27 N O6
• SMILES: OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCC
• Title of publication: Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments.
• Authors of publication: Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 15043 - 15056
• a: 4.957 ± 0.003 Å
• b: 5.007 ± 0.004 Å
• c: 30.6 ± 0.02 Å
• α: 90°
• β: 92.98 ± 0.008°
• γ: 90°
• Cell volume: 758.5 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No