Information card for entry 2222130

Structure parameters

• Chemical name: 1-[(3-methylpiperidin-1-yl)(phenyl)methyl]-2-naphthol
• Formula: C23 H25 N O
• Calculated formula: C23 H25 N O
• SMILES: [C@@H](c1c(ccc2c1cccc2)O)(c1ccccc1)N1CCC[C@H](C1)C.[C@H](c1c(ccc2c1cccc2)O)(c1ccccc1)N1CCC[C@@H](C1)C
• Title of publication: 1-[(3-Methylpiperidin-1-yl)(phenyl)methyl]-2-naphthol
• Authors of publication: Wang, Wen Xiang; Zhao, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1277
• a: 9.2138 ± 0.0013 Å
• b: 10.9056 ± 0.0013 Å
• c: 18.635 ± 0.003 Å
• α: 90°
• β: 97.007 ± 0.01°
• γ: 90°
• Cell volume: 1858.5 ± 0.5 ų
• Cell temperature: 291.5 K
• Ambient diffraction temperature: 291.5 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes