Information card for entry 7010444

Structure parameters

• Formula: C28 H27 N O4 P2
• Calculated formula: C28 H27 N O4 P2
• SMILES: N([C@H](C(=O)OC)C)(P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Novel chiral phosphine ligands and complexes from amino acid esters
• Authors of publication: Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 621
• a: 8.4844 ± 0.0001 Å
• b: 14.1005 ± 0.0002 Å
• c: 21.196 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.77 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.0743
• Goodness-of-fit parameter for all reflections: 0.546
• Goodness-of-fit parameter for significantly intense reflections: 0.619
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No