Information card for entry 2232938

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1)
• Formula: C42 H36 N8
• Calculated formula: C42 H36 N8
• SMILES: c1ccc2c(c1)cccc2.c1ccc(nc1)Nc1ccc(cc1)Nc1ccccn1.c1ccc(nc1)Nc1ccc(cc1)Nc1ccccn1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1)
• Authors of publication: Wicher, Barbara; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3300
• a: 9.2224 ± 0.0001 Å
• b: 22.8371 ± 0.0002 Å
• c: 8.876 ± 0.0001 Å
• α: 90°
• β: 117.936 ± 0.002°
• γ: 90°
• Cell volume: 1651.56 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes