Information card for entry 7156966

Structure parameters

• Formula: C15 H26 O3
• Calculated formula: C15 H26 O3
• Title of publication: A biomimetic approach towards phorone sesterterpenoids.
• Authors of publication: Shirley, Harry J.; Bray, Christopher D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 6985 - 6988
• a: 9.7264 ± 0.0007 Å
• b: 13.0927 ± 0.0009 Å
• c: 11.7193 ± 0.0008 Å
• α: 90°
• β: 109.924 ± 0.002°
• γ: 90°
• Cell volume: 1403.07 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No