Information card for entry 1513327

Structure parameters

• Formula: C5 H10 O
• Calculated formula: C5 H10 O
• SMILES: OC1CCCC1
• Title of publication: High-pressure polymorphism of cyclopentanol (C5H10O): the structure of cyclopentanol phase-V at 1.5 GPa
• Authors of publication: Moggach, S. A.; Allan, D. R.; Lozano-Casal, P.; Parsons, S.
• Journal of publication: Journal of Synchrotron Radiation
• Year of publication: 2005
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 590 - 597
• a: 17.882 ± 0.003 Å
• b: 5.4573 ± 0.0003 Å
• c: 9.6817 ± 0.0014 Å
• α: 90°
• β: 104.699 ± 0.008°
• γ: 90°
• Cell volume: 913.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9318
• Diffraction radiation wavelength: 0.6777 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No