Information card for entry 4037716

Structure parameters

• Formula: C18 H20 O
• Calculated formula: C18 H20 O
• SMILES: O=C1[C@]2(CC=C)[C@H]([C@@H]3[C@@H]4C[C@H]([C@H]13)C=C4)[C@@H]1C[C@H]2C=C1.O=C1[C@@]2(CC=C)[C@@H]([C@H]3[C@H]4C[C@@H]([C@@H]13)C=C4)[C@H]1C[C@@H]2C=C1
• Title of publication: Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.
• Authors of publication: Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 9.3778 ± 0.0006 Å
• b: 21.6474 ± 0.0013 Å
• c: 6.9697 ± 0.0005 Å
• α: 90°
• β: 107.023 ± 0.007°
• γ: 90°
• Cell volume: 1352.89 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.094
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No