Information card for entry 7240644

Structure parameters

• Formula: C27 H29 N O5 P2
• Calculated formula: C27 H29 N O5 P2
• SMILES: P(=O)([O-])(C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1.P(=O)(O)(O)c1ccccc1
• 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: 9.4746 ± 0.0004 Å
• b: 11.3717 ± 0.0005 Å
• c: 23.1551 ± 0.001 Å
• α: 90°
• β: 91.99 ± 0.001°
• γ: 90°
• Cell volume: 2493.28 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.084
• 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