Information card for entry 1504357

Structure parameters

• Formula: C5 H10
• Calculated formula: C5 H10
• SMILES: C1CCCC1
• Title of publication: Solid phases of cyclopentane: combined experimental and simulation study.
• Authors of publication: Torrisi, Antonio; Leech, Charlotte K.; Shankland, Kenneth; David, William I. F.; Ibberson, Richard M.; Benet-Buchholz, Jordi; Boese, Roland; Leslie, Maurice; Catlow, C Richard A; Price, Sarah L.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 12
• Pages of publication: 3746 - 3758
• a: 9.578 ± 0.005 Å
• b: 5.328 ± 0.002 Å
• c: 10.018 ± 0.002 Å
• α: 90°
• β: 113.12 ± 0.03°
• γ: 90°
• Cell volume: 470.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 2
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No