Information card for entry 2008490

Structure parameters

• Common name: 1,11-undecanediol
• Formula: C11 H24 O2
• Calculated formula: C11 H24 O2
• SMILES: OCCCCCCCCCCCO
• Title of publication: 1,11-Undecanediol
• Authors of publication: Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 789 - 791
• a: 7.145 ± 0.004 Å
• b: 32.419 ± 0.009 Å
• c: 5.142 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.1 ± 0.9 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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: 0.066
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.334
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No