Information card for entry 7152532

Structure parameters

• Common name: 4,8-bis(4-(tert-butyl)phenyl)-1,5-naphthyridine
• Formula: C14 H15 N
• Calculated formula: C14 H15 N
• Title of publication: Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.
• Authors of publication: Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6693 - 6704
• a: 11.973 ± 0.002 Å
• b: 7.802 ± 0.0016 Å
• c: 12.534 ± 0.003 Å
• α: 90°
• β: 102.95 ± 0.03°
• γ: 90°
• Cell volume: 1141.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.181
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No