Information card for entry 7240649

Structure parameters

• Formula: C10 H14 N O4 P
• Calculated formula: C10 H14 N O4 P
• SMILES: P(=O)([O-])C[NH+](CC(=O)O)Cc1ccccc1
• 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: 5.661 ± 0.0002 Å
• b: 8.5501 ± 0.0003 Å
• c: 12.0035 ± 0.0004 Å
• α: 78.854 ± 0.001°
• β: 79.171 ± 0.001°
• γ: 78.139 ± 0.001°
• Cell volume: 551.19 ± 0.03 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: 0.0336
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No