Information card for entry 2009043

Structure parameters

• Common name: tetradecane-1,14-diol
• Formula: C14 H30 O2
• Calculated formula: C14 H30 O2
• SMILES: OCCCCCCCCCCCCCCO
• Title of publication: 1,14-Tetradecanediol
• Authors of publication: Naotake Nakamura; Taketoshi Sato
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1687 - 1689
• a: 4.976 ± 0.001 Å
• b: 5.1968 ± 0.0008 Å
• c: 27.955 ± 0.003 Å
• α: 90°
• β: 93.82 ± 0.01°
• γ: 90°
• Cell volume: 721.3 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections: 1.8
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No