Information card for entry 2236150

Structure parameters

• Chemical name: 1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol
• Formula: C23 H25 N O
• Calculated formula: C23 H25 N O
• SMILES: [C@H](c1c(ccc2c1cccc2)O)(c1ccccc1)N1CCCC[C@@H]1C.[C@@H](c1c(ccc2c1cccc2)O)(c1ccccc1)N1CCCC[C@H]1C
• Title of publication: 1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol
• Authors of publication: Huang, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2943
• a: 10.249 ± 0.002 Å
• b: 13.182 ± 0.003 Å
• c: 13.435 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1815.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes