Information card for entry 4024418

Structure parameters

• Formula: C25 H22
• Calculated formula: C25 H22
• SMILES: C(=C1C=C(c2ccccc2C1c1ccccc1)c1ccccc1)(C)C
• Title of publication: Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations
• Authors of publication: Zhi-Bin Zhu; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2481 - 2485
• a: 8.206 ± 0.0017 Å
• b: 10.129 ± 0.002 Å
• c: 12.189 ± 0.003 Å
• α: 66.066 ± 0.003°
• β: 79.794 ± 0.004°
• γ: 79.539 ± 0.004°
• Cell volume: 904.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No