Information card for entry 2005954

Structure parameters

• Common name: 1,13-tridecanediol
• Formula: C13 H28 O2
• Calculated formula: C13 H28 O2
• SMILES: OCCCCCCCCCCCCCO
• Title of publication: 1,13-Tridecanediol
• Authors of publication: Nakamura, N.; Tanihara, Y.; Takayama, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 253 - 255
• a: 7.163 ± 0.002 Å
• b: 37.56 ± 0.01 Å
• c: 5.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.6 ± 1 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: 0.0755
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.0758
• Goodness-of-fit parameter for all reflections: 1.397
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No