Information card for entry 4513047

Structure parameters

• Formula: C116 H96 F4 N4 O16 Zn4
• Calculated formula: C116 H96 F4 N4 O16 Zn4
• 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: 25.8026 ± 0.0013 Å
• b: 12.3472 ± 0.0005 Å
• c: 15.9123 ± 0.0007 Å
• α: 90°
• β: 105.476 ± 0.002°
• γ: 90°
• Cell volume: 4885.7 ± 0.4 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: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.098
• 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