Information card for entry 2200210

Structure parameters

• Formula: C28 H42 B2 P2
• Calculated formula: C28 H42 B2 P2
• SMILES: c1c(cccc1C[P@@]([BH3])(c1ccccc1)C(C)(C)C)C[P@@]([BH3])(c1ccccc1)C(C)(C)C
• Title of publication: (+)-(<i>RR</i>)-{μ-<i>m</i>-Phenylenedimethylenebis[<i>tert</i>-butyl(phenyl)phosphine]}bis(borane)
• Authors of publication: Lebel, Hélène; Berthod, Michael; Bélanger-Gariépy, Francine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o282 - o284
• a: 7.38 ± 0.006 Å
• b: 13.515 ± 0.006 Å
• c: 28.189 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2812 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes