Information card for entry 2228812

Structure parameters

• Chemical name: 4,4'-(1,8-Naphthalene-1,8-diyl)dibenzonitrile
• Formula: C24 H14 N2
• Calculated formula: C24 H14 N2
• SMILES: N#Cc1ccc(c2cccc3cccc(c23)c2ccc(cc2)C#N)cc1
• Title of publication: 4,4'-(1,8-Naphthalene-1,8-diyl)dibenzonitrile
• Authors of publication: Lima, Carlos F.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o66
• a: 17.0872 ± 0.0009 Å
• b: 8.2997 ± 0.0004 Å
• c: 24.3656 ± 0.0013 Å
• α: 90°
• β: 93.795 ± 0.002°
• γ: 90°
• Cell volume: 3447.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes