Information card for entry 4021444

Structure parameters

• Formula: C24 H16
• Calculated formula: C24 H16
• SMILES: c1(ccccc1)/C=C\c1ccc2c3c1ccc1cccc(cc2)c31
• Title of publication: Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State
• Authors of publication: Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 1055 - 1059
• a: 10.822 ± 0.002 Å
• b: 15.188 ± 0.002 Å
• c: 10.316 ± 0.002 Å
• α: 90°
• β: 110.95 ± 0.03°
• γ: 90°
• Cell volume: 1583.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0926
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No