Information card for entry 4074604

Structure parameters

• Formula: C24 H40 B P
• Calculated formula: C24 H40 B P
• SMILES: [P]1([BH3])(CCCc2ccccc2)[C@@H](C[C@H]1C1CCCCC1)C1CCCCC1
• 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: 9.71 ± 0.001 Å
• b: 12.271 ± 0.001 Å
• c: 19.457 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2318.3 ± 0.4 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: 0.0934
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No