Information card for entry 4074605

Structure parameters

• Formula: C26 H32 B P
• Calculated formula: C26 H32 B P
• SMILES: [P]1([BH3])(CCCc2ccccc2)[C@H](C[C@@H]1Cc1ccccc1)Cc1ccccc1
• Title of publication: Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1
• Authors of publication: Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2607
• a: 6.414 ± 0.001 Å
• b: 12.288 ± 0.003 Å
• c: 29.44 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2320.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No