Information card for entry 7228077

Structure parameters

• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: c1ccc(cn1)C1C(c2ccncc2)C(c2cccnc2)C1c1ccncc1
• Title of publication: Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies
• Authors of publication: Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.2988 ± 0.0019 Å
• b: 10.402 ± 0.002 Å
• c: 10.241 ± 0.002 Å
• α: 90°
• β: 96.58 ± 0.03°
• γ: 90°
• Cell volume: 984 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No