Information card for entry 7240652

Structure parameters

• Formula: C13 H26 N O2 P
• Calculated formula: C13 H26 N O2 P
• SMILES: P(=O)([O-])C[NH+](C1CCCCC1)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: 8.5485 ± 0.0002 Å
• b: 8.7247 ± 0.0002 Å
• c: 10.3439 ± 0.0002 Å
• α: 71.418 ± 0.001°
• β: 68.689 ± 0.001°
• γ: 81.28 ± 0.001°
• Cell volume: 680.7 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No