Information card for entry 4038270

Structure parameters

• Formula: C12 H25 D2 F N O8 P
• Calculated formula: C12 H25 D2 F N O8 P
• Title of publication: Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates.
• Authors of publication: Kaźmierczak, Marcin; Koroniak, Henryk
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 756 - 762
• a: 6.3466 ± 0.00018 Å
• b: 12.0072 ± 0.0003 Å
• c: 24.5409 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.14 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0753
• 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