Information card for entry 4067848

Structure parameters

• Formula: C25 H23 B0 P
• Calculated formula: C25 H23 B P2
• SMILES: p1(c2c(c3c1cccc3)cccc2)C[P]([BH3])(c1ccccc1)c1ccccc1
• Title of publication: Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions
• Authors of publication: Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 857
• a: 10.7285 ± 0.0003 Å
• b: 14.9875 ± 0.0004 Å
• c: 13.2512 ± 0.0003 Å
• α: 90°
• β: 95.157 ± 0.002°
• γ: 90°
• Cell volume: 2122.08 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No