Information card for entry 4034871

Structure parameters

• Formula: C13 H18 O2
• Calculated formula: C13 H18 O2
• SMILES: C1=C[C@@]23C(=O)[C@H]([C@]1(C)C[C@H]2[C@H](C)CC3)O.C1=C[C@]23C(=O)[C@@H]([C@@]1(C)C[C@@H]2[C@@H](C)CC3)O
• Title of publication: Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.
• Authors of publication: Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 14049 - 14056
• a: 9.5733 ± 0.0003 Å
• b: 11.0102 ± 0.0005 Å
• c: 12.0302 ± 0.0004 Å
• α: 77.447 ± 0.004°
• β: 67.451 ± 0.003°
• γ: 85.529 ± 0.003°
• Cell volume: 1143.08 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9894
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No