Information card for entry 7128788

Structure parameters

• Formula: C30 H21 As
• Calculated formula: C30 H21 As
• SMILES: [As]1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#C
• Title of publication: Heterocyclic arsinocarbynes via tandem transmetallation.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 70
• Pages of publication: 8770 - 8773
• a: 19.0571 ± 0.0002 Å
• b: 6.0872 ± 0.0001 Å
• c: 20.2253 ± 0.0002 Å
• α: 90°
• β: 110.451 ± 0.001°
• γ: 90°
• Cell volume: 2198.34 ± 0.05 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No