Information card for entry 7228078

Structure parameters

• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: n1cccc(c1)[C@@H]1[C@@H](c2ccncc2)[C@H]([C@@H]1c1cccnc1)c1ccncc1
• 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: 12.112 ± 0.002 Å
• b: 16.437 ± 0.003 Å
• c: 19.547 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3891.5 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No