Information card for entry 7240641

Structure parameters

• Formula: C23 H28 N O3 P
• Calculated formula: C23 H28 N O3 P
• SMILES: P(=O)([O-])C(Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1.OC
• Title of publication: Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction
• Authors of publication: Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 21329 - 21349
• a: 9.7954 ± 0.0005 Å
• b: 9.9645 ± 0.0005 Å
• c: 11.1729 ± 0.0006 Å
• α: 73.496 ± 0.002°
• β: 82.075 ± 0.002°
• γ: 87.525 ± 0.002°
• Cell volume: 1035.62 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No