Information card for entry 7237606

Structure parameters

• Chemical name: (R)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
• Formula: C29 H28 N2 O4
• Calculated formula: C29 H28 N2 O4
• Title of publication: Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport
• Authors of publication: Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 2659
• a: 4.8296 ± 0.0002 Å
• b: 8.7435 ± 0.0003 Å
• c: 14.4477 ± 0.0005 Å
• α: 89.914 ± 0.001°
• β: 86.096 ± 0.001°
• γ: 82.549 ± 0.001°
• Cell volume: 603.52 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No