Information card for entry 4034872

Structure parameters

• Formula: C16 H28 O2
• Calculated formula: C16 H28 O2
• SMILES: [C@H]12[C@]3([C@@H](C[C@@](C1)(C)CCO)[C@@H](CC3)C)C[C@]2(C)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: 9.5839 ± 0.0001 Å
• b: 12.703 ± 0.0001 Å
• c: 24.8305 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3022.97 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No