Information card for entry 2009004

Structure parameters

• Common name: 1,10-decanediol
• Formula: C10 H22 O2
• Calculated formula: C10 H22 O2
• SMILES: OCCCCCCCCCCO
• Title of publication: 1,10-Decanediol
• Authors of publication: Nakamura, Naotake; Sato, Taketoshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1685 - 1687
• a: 21.148 ± 0.002 Å
• b: 5.16 ± 0.002 Å
• c: 4.94 ± 0.001 Å
• α: 90°
• β: 96.69 ± 0.01°
• γ: 90°
• Cell volume: 535.4 ± 0.2 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections: 1.359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No