Information card for entry 2016435

Structure parameters

• Chemical name: Cyclopentadecanone
• Formula: C15 H28 O
• Calculated formula: C15 H28 O
• SMILES: O=C1CCCCCCCCCCCCCC1
• Title of publication: Cyclopentadecanone
• Authors of publication: Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o67 - o68
• a: 15.6634 ± 0.0016 Å
• b: 5.5531 ± 0.0005 Å
• c: 17.6928 ± 0.0018 Å
• α: 90°
• β: 116.315 ± 0.008°
• γ: 90°
• Cell volume: 1379.4 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.071
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes