Information card for entry 4036071

Structure parameters

• Formula: C20 H28 O
• Calculated formula: C20 H28 O
• SMILES: O=C1[C@H]2[C@H]([C@H]3C[C@@H]1C[C@@H](C2)C3)C1C2CC3CC(CC1C3)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: 6.556 ± 0.0004 Å
• b: 12.1153 ± 0.0008 Å
• c: 9.5191 ± 0.0007 Å
• α: 90°
• β: 93.513 ± 0.003°
• γ: 90°
• Cell volume: 754.66 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No