Information card for entry 4314018

Structure parameters

• Formula: C90 H132 N O9 P3
• Calculated formula: C90 H132 N O9 P3
• SMILES: p1(OCCN(CCOp2oc3c(cc(cc3C(C)(C)C)C(C)(C)C)c3c(o2)c(cc(c3)C(C)(C)C)C(C)(C)C)CCOp2oc3c(cc(cc3C(C)(C)C)C(C)(C)C)c3c(o2)c(cc(c3)C(C)(C)C)C(C)(C)C)oc2c(cc(cc2C(C)(C)C)C(C)(C)C)c2c(o1)c(cc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: Sterically Congested Tripodal Phosphites: Conformational Analysis, Solid-State Polymorphism, Metal Complexation, and Application to the Asymmetric Hydrosilation of Ketones1
• Authors of publication: Sai P. Shum; Stephen D. Pastor; Anthony D. DeBellis; Paul A. Odorisio; Lilibeth Burke; Frank H. Clarke; Grety Rihs; Bogdan Piatek; Ronald K. Rodebaugh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5097 - 5106
• a: 12.493 ± 0.001 Å
• b: 19.701 ± 0.002 Å
• c: 21.027 ± 0.002 Å
• α: 116.23 ± 0.01°
• β: 100.15 ± 0.01°
• γ: 91.07 ± 0.01°
• Cell volume: 4542.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.2398
• Weighted residual factors for significantly intense reflections: 0.233
• Goodness-of-fit parameter for all reflections: 1.97
• Goodness-of-fit parameter for significantly intense reflections: 2.068
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No