Information card for entry 7003656

Structure parameters

• Formula: C43 H52 As4
• Calculated formula: C43 H52 As4
• SMILES: [As]1([As]([As]([As]1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.Cc1ccccc1
• Title of publication: Mechanistic variety in zirconium-catalyzed bond-forming reaction of arsines
• Authors of publication: Roering, Andrew J.; Davidson, Jillian J.; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4488 - 4498
• a: 12.2517 ± 0.0018 Å
• b: 12.4234 ± 0.0019 Å
• c: 14.266 ± 0.002 Å
• α: 90.18 ± 0.002°
• β: 96.133 ± 0.002°
• γ: 116.656 ± 0.002°
• Cell volume: 1926.3 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No