Information card for entry 2010375

Structure parameters

• Formula: C24 H27 N O5 S
• Calculated formula: C24 H27 N O5 S
• SMILES: S(=O)(=O)(N(Cc1ccc(OC)c(OC)c1)C(c1ccccc1)CO)c1ccc(cc1)C
• Title of publication: 2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol
• Authors of publication: Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 109 - 112
• a: 8.669 ± 0.002 Å
• b: 10.553 ± 0.002 Å
• c: 13.535 ± 0.003 Å
• α: 96.34 ± 0.02°
• β: 105.91 ± 0.03°
• γ: 105.02 ± 0.02°
• Cell volume: 1128 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No