Information card for entry 4319291

Structure parameters

• Formula: C46 H55 As O3
• Calculated formula: C34 H43 As O3
• SMILES: [As]12Oc3c(C(c4c(O1)c(C(C)(C)C)cc(C)c4)c1c(O2)c(C(C)(C)C)cc(C)c1)cc(cc3C(C)(C)C)C
• Title of publication: Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes
• Authors of publication: Maarten B. Dinger; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 856 - 864
• a: 26.4932 ± 0.0014 Å
• b: 26.4932 ± 0.0014 Å
• c: 27.759 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16873.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No