Information card for entry 7158755

Structure parameters

• Formula: C21 H30 N O4 P
• Calculated formula: C21 H30 N O4 P
• 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: 8.5489 ± 0.0002 Å
• b: 9.957 ± 0.0002 Å
• c: 12.8587 ± 0.0003 Å
• α: 71.144 ± 0.002°
• β: 81.512 ± 0.002°
• γ: 81.501 ± 0.002°
• Cell volume: 1018.59 ± 0.04 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No