Information card for entry 2018007

Structure parameters

• Common name: cyclobutanone
• Chemical name: cyclobutan-1-one
• Formula: C4 H6 O
• Calculated formula: C4 H6 O
• SMILES: O=C1CCC1
• 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: 15.5022 ± 0.0016 Å
• b: 9.0662 ± 0.0009 Å
• c: 8.6531 ± 0.0007 Å
• α: 90°
• β: 85.83 ± 0.03°
• γ: 90°
• Cell volume: 1212.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0482
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No