Information card for entry 4085797

Structure parameters

• Formula: C33 H52 B O3 P2 Rh
• Calculated formula: C33 H52 B O3 P2 Rh
• SMILES: [Rh]12([P](c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)B1OC(C)(C)C(O1)(C)C
• 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: 9.6438 ± 0.0004 Å
• b: 18.7522 ± 0.0008 Å
• c: 18.577 ± 0.0008 Å
• α: 90°
• β: 96.262 ± 0.001°
• γ: 90°
• Cell volume: 3339.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No