Information card for entry 8102783

Structure parameters

• Formula: C34 H23 N
• Calculated formula: C34 H23 N
• SMILES: c1(ccc(cc1)c1ccc2ccc3cccc4ccc1c2c34)N(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of N-phenyl-N-(4-(pyren-1-yl)phenyl)benzenamine, C34H23N
• Authors of publication: Zhi-Qiang Wang; Rui Zhang; Xiao-Juan Sun; Ya-Peng Zhang; Yan Xu; Chen Xu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 573
• a: 18.2364 ± 0.0019 Å
• b: 10.7241 ± 0.0012 Å
• c: 12.2551 ± 0.0013 Å
• α: 90°
• β: 95.883 ± 0.001°
• γ: 90°
• Cell volume: 2384.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No