Information card for entry 4511198

Structure parameters

• Formula: C41 H30 N4
• Calculated formula: C41 H30 N4
• SMILES: n1c(c2ncccc2)cc(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1c1ncccc1
• Title of publication: Polymorphism in a Highly Conjugated Organic Compound: Strong Photoelectric Response
• Authors of publication: Gao, Yuan-Hao; Zhou, Wen; Li, Lin; Wu, Jie-Ying; Zhou, Hong-Ping; Yang, Jia-Xiang; Tian, Yu-Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 253 - 257
• a: 17.181 ± 0.005 Å
• b: 10.101 ± 0.005 Å
• c: 18.512 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.659 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3122 ± 2 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: 0.1499
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No