Information card for entry 7213436

Structure parameters

• Formula: C24 H27 N
• Calculated formula: C24 H27 N
• SMILES: N([C@H](C)c1ccccc1)([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: 8.6255 ± 0.0003 Å
• b: 9.9353 ± 0.0004 Å
• c: 22.5592 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.25 ± 0.12 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No