Information card for entry 4085793

Structure parameters

• Formula: C33 H45 O P2 Rh
• Calculated formula: C33 H45 O P2 Rh
• SMILES: [Rh]12([P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1
• Title of publication: POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation
• Authors of publication: Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1911
• a: 12.2682 ± 0.0009 Å
• b: 13.4969 ± 0.001 Å
• c: 19.9489 ± 0.0015 Å
• α: 91.56 ± 0.001°
• β: 107.361 ± 0.001°
• γ: 104.326 ± 0.001°
• Cell volume: 3036.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No