Information card for entry 7158757

Structure parameters

• Formula: C22 H32 N O4 P
• Calculated formula: C22 H32 N O4 P
• SMILES: P(=O)(OCC)(OCC)[C@@H](O)C[C@H](N(Cc1ccccc1)Cc1ccccc1)C.P(=O)(OCC)(OCC)[C@H](O)C[C@@H](N(Cc1ccccc1)Cc1ccccc1)C
• Title of publication: Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.
• Authors of publication: Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 5615 - 5623
• a: 10.7214 ± 0.0004 Å
• b: 11.9743 ± 0.0006 Å
• c: 18.1464 ± 0.0008 Å
• α: 88.453 ± 0.004°
• β: 77.487 ± 0.004°
• γ: 74.219 ± 0.004°
• Cell volume: 2187.33 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0735
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No