Information card for entry 1565488

Structure parameters

• Formula: C43 H44 N2 O P2
• Calculated formula: C43 H44 N2 O P2
• SMILES: [C@H](C)(c1ccccc1)N1[C@@H](c2ccccc2)c2c(ccc3c2cccc3)OP1N([C@@H](C)c1ccccc1)P(C(C)(C)C)c1ccccc1
• Title of publication: Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis
• Authors of publication: Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1392 - 1399
• a: 10.0784 ± 0.0003 Å
• b: 11.7543 ± 0.0003 Å
• c: 30.5885 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3623.65 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No