Information card for entry 7213496

Structure parameters

• Formula: C22 H42 B2 N4 P2
• Calculated formula: C22 H42 B2 N4 P2
• SMILES: [P]1([BH3])(N(C)[C@@H]2CCCC[C@H]2N1C)c1ccccc1[P]1([BH3])N(C)[C@@H]2CCCC[C@H]2N1C
• Title of publication: Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands
• Authors of publication: Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2840
• a: 13.347 ± 0.002 Å
• b: 13.738 ± 0.002 Å
• c: 14.152 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2594.9 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0941
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No