Information card for entry 7127592

Structure parameters

• Formula: C45 H69 As3
• Calculated formula: C45 H69 As3
• SMILES: [As]1([As]([As]1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C
• Title of publication: Aryl-substituted triarsiranes: synthesis and reactivity.
• Authors of publication: Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 1014 - 1017
• a: 11.4729 ± 0.0006 Å
• b: 13.1325 ± 0.0007 Å
• c: 14.8881 ± 0.0008 Å
• α: 94.418 ± 0.001°
• β: 98.352 ± 0.001°
• γ: 95.866 ± 0.002°
• Cell volume: 2198.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No