Information card for entry 2003512

Structure parameters

• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: OC[C@@H](c1ccccc1)N(Cc1ccc(c(c1)OC)OC)C
• Title of publication: The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol
• Authors of publication: Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1175 - 1177
• a: 10.731 ± 0.006 Å
• b: 18.016 ± 0.006 Å
• c: 8.347 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613.7 ± 1.4 ų
• Cell temperature: 295 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: 0.052
• Weighted residual factors for significantly intense reflections: 0.15
• Goodness-of-fit parameter for significantly intense reflections: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No