Information card for entry 4036072

Structure parameters

• Formula: C20 H28 O
• Calculated formula: C20 H28 O
• SMILES: O[C@@H]1[C@@H]2C[C@H]3C[C@H](C(=C4\C5CC6CC(CC4C6)C5)\[C@@H]1C3)C2
• Title of publication: Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.
• Authors of publication: Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 15.4691 ± 0.0004 Å
• b: 30.463 ± 0.0008 Å
• c: 6.74 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3176.13 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No