Information card for entry 2226064

Structure parameters

• Chemical name: <i>r</i>-2,<i>c</i>-6-Bis(2-methoxyphenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one acetic acid solvate
• Formula: C23 H29 N O5
• Calculated formula: C23 H29 N O5
• SMILES: O=C(C)O.[C@@H]1([C@@H](C(=O)[C@@H]([C@@H](c2c(cccc2)OC)N1)C)C)c1ccccc1OC
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(2-methoxyphenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one acetic acid solvate
• Authors of publication: Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Park, K. S.; Jeong, Y. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1428
• a: 9.3059 ± 0.0005 Å
• b: 10.7052 ± 0.0008 Å
• c: 11.895 ± 0.0007 Å
• α: 94.432 ± 0.003°
• β: 93.341 ± 0.002°
• γ: 109.502 ± 0.003°
• Cell volume: 1109.21 ± 0.12 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes