Information card for entry 4063441

Structure parameters

• Formula: C17 H29 O P
• Calculated formula: C17 H29 O P
• SMILES: C(CO)Pc1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds
• Authors of publication: Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 378
• a: 23.7985 ± 0.0014 Å
• b: 23.7985 ± 0.0014 Å
• c: 5.9808 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3387.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No