Information card for entry 4101386

Structure parameters

• Formula: C37 H34 N3 O3 P
• Calculated formula: C37 H34 N3 O3 P
• SMILES: P1(Oc2c([C@@H]3N(C(=O)N([C@H]3c3ccccc3O1)Cc1ccccc1)Cc1ccccc1)cccc2)N[C@@H](c1ccccc1)C
• Title of publication: Hydrogen bonding makes a difference in the rhodium-catalyzed enantioselective hydrogenation using monodentate phosphoramidites.
• Authors of publication: Liu, Yan; Sandoval, Christian A; Yamaguchi, Yoshiki; Zhang, Xue; Wang, Zheng; Kato, Koichi; Ding, Kuiling
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14212 - 14213
• a: 11.8569 ± 0.0007 Å
• b: 19.6421 ± 0.0012 Å
• c: 27.9528 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6510.1 ± 0.7 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: 0.156
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No