Information card for entry 4513049

Structure parameters

• Formula: C58 H48 F2 N2 O8 Zn2
• Calculated formula: C58 H48 F2 N2 O8 Zn2
• Title of publication: Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring
• Authors of publication: Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4055
• a: 25.635 ± 0.007 Å
• b: 12.264 ± 0.003 Å
• c: 16.391 ± 0.004 Å
• α: 90°
• β: 104.731 ± 0.004°
• γ: 90°
• Cell volume: 4984 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No