Information card for entry 1552325

Structure parameters

• Formula: C21 H20
• Calculated formula: C21 H20
• SMILES: C(=C)(C(=C\C=C\c1ccccc1)/C=C/c1ccccc1)C
• Title of publication: A General Synthesis of Dendralenes
• Authors of publication: Sherburn, Michael; George, Josemon; Ward, Jas S.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.5944 ± 0.0001 Å
• b: 5.9312 ± 0.0001 Å
• c: 16.3498 ± 0.0002 Å
• α: 90°
• β: 104.547 ± 0.001°
• γ: 90°
• Cell volume: 806.71 ± 0.02 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No