Information card for entry 7213497

Structure parameters

• Formula: C15 H26 B N2 O P
• Calculated formula: C15 H26 B N2 O P
• SMILES: [P]1(c2ccccc2OC)(N(C)[C@@H]2CCCC[C@H]2N1C)[BH3]
• 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: 8.3 ± 0.004 Å
• b: 13.789 ± 0.005 Å
• c: 14.553 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.0973
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No