Information card for entry 1552323

Structure parameters

• Formula: C21 H18
• Calculated formula: C21 H18
• SMILES: c1ccccc1/C=C/C(=C/C#Cc1ccccc1)C(=C)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: 10.9002 ± 0.0003 Å
• b: 20.0267 ± 0.0004 Å
• c: 7.6356 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.81 ± 0.06 ų
• Cell temperature: 293.8 ± 0.17 K
• Ambient diffraction temperature: 293.8 ± 0.17 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No