Information card for entry 4113250

Structure parameters

• Formula: C18 H20 O
• Calculated formula: C18 H20 O
• SMILES: O1c2c(cccc2)C2=C[C@H]3[C@@]4([C@@H]2C1)[C@@H]3CCCCC4.O1c2c(cccc2)C2=C[C@@H]3[C@]4([C@H]2C1)[C@H]3CCCCC4
• Title of publication: Ruthenium- and Platinum-Catalyzed Sequential Reactions: Selective Synthesis of Fused Polycyclic Compounds from Propargylic Alcohols and Alkenes
• Authors of publication: Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16066 - 16072
• a: 12.5767 ± 0.0005 Å
• b: 13.2311 ± 0.0006 Å
• c: 17.2462 ± 0.0008 Å
• α: 90°
• β: 101.968 ± 0.001°
• γ: 90°
• Cell volume: 2807.4 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No