Information card for entry 1507855

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O=C1[C@@H]2[C@H](C(=CC[C@@]1(O)C(C)C)C)CC[C@H]2C.O=C1[C@H]2[C@@H](C(=CC[C@]1(O)C(C)C)C)CC[C@@H]2C
• Title of publication: A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.
• Authors of publication: Gao, Peng; Cook, Silas P.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3340 - 3343
• a: 27.8708 ± 0.0013 Å
• b: 27.8708 ± 0.0013 Å
• c: 9.5026 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6392.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No