Information card for entry 1507577

Structure parameters

• Formula: C15 H24 O
• Calculated formula: C15 H24 O
• SMILES: O=C1C(CCCC(=CCC(C=C1)(C)C)C)C
• Title of publication: Total synthesis of the terpenoid buddledone a: 11-membered ring-closing metathesis.
• Authors of publication: Cai, Zhengxin; Yongpruksa, Nattawut; Harmata, Michael
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1661 - 1663
• a: 6.0569 ± 0.0006 Å
• b: 12.7912 ± 0.0012 Å
• c: 17.5238 ± 0.0016 Å
• α: 90°
• β: 96.253 ± 0.001°
• γ: 90°
• Cell volume: 1349.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No