Information card for entry 4066558

Structure parameters

• Formula: C23 H29 B N3 O5 Rh
• Calculated formula: C23 H29 B N3 O5 Rh
• SMILES: [Rh]1(C#[O])(C#[O])[N]2C(C)(C)COC=2[B](C2=[N]1C(C)(C)CO2)(C1=NC(C)(C)CO1)c1ccccc1
• Title of publication: Reactions of Tris(oxazolinyl)phenylborato Rhodium(I) with C−X (X = Cl, Br, OTf) Bonds: Stereoselective Intermolecular Oxidative Addition
• Authors of publication: Ho, Hung-An; Dunne, James F.; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4105
• a: 11.5814 ± 0.0011 Å
• b: 9.4035 ± 0.0009 Å
• c: 22.773 ± 0.002 Å
• α: 90°
• β: 101.517 ± 0.001°
• γ: 90°
• Cell volume: 2430.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No