Information card for entry 2011931

Structure parameters

• Common name: 1,17-Heptadecanediol
• Formula: C17 H36 O2
• Calculated formula: C17 H36 O2
• SMILES: OCCCCCCCCCCCCCCCCCO
• Title of publication: 1,17-Heptadecanediol
• Authors of publication: Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 585 - 586
• a: 7.197 ± 0.004 Å
• b: 47.756 ± 0.002 Å
• c: 5.076 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.6 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections: 1.362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.459
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No