Information card for entry 7213437

Structure parameters

• Formula: C24 H27 N
• Calculated formula: C24 H27 N
• SMILES: [C@@H](N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)(C)c1ccccc1.N([C@H](c1ccccc1)C)([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
• Title of publication: Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms
• Authors of publication: Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4222
• a: 11.522 ± 0.002 Å
• b: 11.522 ± 0.002 Å
• c: 50.079 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5757.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.1012
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No