Information card for entry 2243823

Structure parameters

• Chemical name: 4-(Anthracen-9-yl)pyridine
• Formula: C19 H13 N
• Calculated formula: C19 H13 N
• SMILES: c1cc(c2c3ccccc3cc3c2cccc3)ccn1
• Title of publication: Crystal structure of 4-(anthracen-9-yl)pyridine
• Authors of publication: Zhao, Meng; Zhang, Gang; Zhang, Jingmiao; Huang, Shan; Liu, Xiuxia; Li, Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 605 - 608
• a: 6.0777 ± 0.0004 Å
• b: 20.9211 ± 0.0016 Å
• c: 10.2574 ± 0.0007 Å
• α: 90°
• β: 102.476 ± 0.003°
• γ: 90°
• Cell volume: 1273.45 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0394
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No