Information card for entry 4511197

Structure parameters

• Formula: C41 H30 N4
• Calculated formula: C41 H30 N4
• SMILES: N(c1ccccc1)(c1ccc(/C=C/c2ccc(c3cc(nc(c4ncccc4)c3)c3ncccc3)cc2)cc1)c1ccccc1
• 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: 28.9524 ± 0.0005 Å
• b: 9.6748 ± 0.0002 Å
• c: 23.3609 ± 0.0005 Å
• α: 90°
• β: 110.835 ± 0.001°
• γ: 90°
• Cell volume: 6115.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.099
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No