Information card for entry 1507350

Structure parameters

• Formula: C24 H26 O
• Calculated formula: C24 H26 O
• SMILES: O=C1[C@@]2(CC(=CC[C@]1([C@@H]([C@H]2c1ccccc1)c1ccccc1)C)C)C.O=C1[C@]2(CC(=CC[C@@]1([C@H]([C@@H]2c1ccccc1)c1ccccc1)C)C)C
• Title of publication: Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes.
• Authors of publication: Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2747 - 2750
• a: 11.796 ± 0.0004 Å
• b: 10.008 ± 0.0004 Å
• c: 16.2016 ± 0.0004 Å
• α: 90°
• β: 100.637 ± 0.002°
• γ: 90°
• Cell volume: 1879.8 ± 0.11 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.1079
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No