Information card for entry 7228080

Structure parameters

• Formula: C48 H34 N4 O9 Zn2
• Calculated formula: C48 H34 N4 O9 Zn2
• 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: 13.855 ± 0.003 Å
• b: 11.031 ± 0.002 Å
• c: 14.277 ± 0.003 Å
• α: 90°
• β: 111.23 ± 0.03°
• γ: 90°
• Cell volume: 2033.9 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No