Information card for entry 7240638

Structure parameters

• Formula: C26 H39 N2 O3 P
• Calculated formula: C26 H39 N2 O3 P
• SMILES: P(=O)([O-])C(C)N(Cc1ccccc1)Cc1ccccc1.[NH3+]C12CC3CC(C1)CC(C2)C3.O
• 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: 6.4395 ± 0.0002 Å
• b: 17.5869 ± 0.0005 Å
• c: 22.0784 ± 0.0006 Å
• α: 89.2506 ± 0.0016°
• β: 89.6121 ± 0.0012°
• γ: 83.8238 ± 0.0012°
• Cell volume: 2485.64 ± 0.12 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: 0.0858
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No