Information card for entry 1505875

Structure parameters

• Formula: C19 H27 N O3
• Calculated formula: C19 H27 N O3
• SMILES: O([C@H](C(=O)[O-])c1ccccc1)C.[NH2+]1CC(=CCCC(=CC1)C)C
• Title of publication: Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.
• Authors of publication: Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 963 - 965
• a: 15.5946 ± 0.0005 Å
• b: 18.5492 ± 0.0006 Å
• c: 6.2256 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.86 ± 0.12 ų
• Cell temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No