Information card for entry 4023113

Structure parameters

• Formula: C21 H24 O2
• Calculated formula: C21 H24 O2
• SMILES: O(C)[C@@H]([C@](O)([C@@H]1CCCC=C1)c1ccccc1)c1ccccc1.O(C)[C@H]([C@@](O)([C@H]1CCCC=C1)c1ccccc1)c1ccccc1
• Title of publication: Diastereoselective Production of Homoallylic Alcohols Bearing Quaternary Centers from γ-Substituted Allylic Indiums and Ketones
• Authors of publication: Srinivasarao Arulananda Babu; Makoto Yasuda; Akio Baba
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 10264 - 10267
• a: 9.0909 ± 0.0003 Å
• b: 10.0236 ± 0.0004 Å
• c: 19.1774 ± 0.0008 Å
• α: 90°
• β: 95.1256 ± 0.0007°
• γ: 90°
• Cell volume: 1740.5 ± 0.1 ų
• Cell temperature: 273.2 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 significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.791
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No