Information card for entry 2219692

Structure parameters

• Chemical name: 1-[(Pyrrolidin-1-yl)(<i>p</i>-tolyl)methyl]naphthalen-2-ol
• Formula: C22 H23 N O
• Calculated formula: C22 H23 N O
• SMILES: c1(c(ccc2c1cccc2)O)C(c1ccc(cc1)C)N1CCCC1
• Title of publication: 1-[(Pyrrolidin-1-yl)(<i>p</i>-tolyl)methyl]naphthalen-2-ol
• Authors of publication: Wan, Chuanwei; Zhao, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1926
• a: 10.3467 ± 0.0018 Å
• b: 16.055 ± 0.003 Å
• c: 11.252 ± 0.002 Å
• α: 90°
• β: 106.81 ± 0.008°
• γ: 90°
• Cell volume: 1789.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1147
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes