Information card for entry 2217952

Structure parameters

• Common name: 4-Amino-13-(1-naphthyl)-[2,2]paracyclophane
• Chemical name: 1^2^-amino-4^2^-(1-naphthyl)-1,4(1,4)-dibenzenacyclohexaphane
• Formula: C26 H23 N
• Calculated formula: C26 H23 N
• SMILES: Nc1cc2ccc1CCc1ccc(CC2)cc1c1cccc2c1cccc2
• Title of publication: 4-Amino-13-(1-naphthyl)-[2,2]paracyclophane
• Authors of publication: Sun, Junshan; Huo, Yanmin; Wu, Rentao; Li, Jikun; Ma, Yudao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o650
• a: 8.5261 ± 0.0005 Å
• b: 12.8123 ± 0.0008 Å
• c: 17.2065 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1879.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1592
• 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