Information card for entry 2018006

Structure parameters

• Common name: cyclopentanone
• Chemical name: cyclopentan-1-one
• Formula: C5 H8 O
• Calculated formula: C5 H8 O
• SMILES: O=C1CCCC1
• Title of publication: Cyclopentanone and cyclobutanone
• Authors of publication: Yufit, Dmitry S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o104 - o106
• a: 16.7421 ± 0.0016 Å
• b: 9.7941 ± 0.0008 Å
• c: 8.8898 ± 0.0007 Å
• α: 90°
• β: 93.69 ± 0.02°
• γ: 90°
• Cell volume: 1454.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No