Information card for entry 7159975

Structure parameters

• Formula: C11 H14 N3 O7 P
• Calculated formula: C11 H14 N3 O7 P
• Title of publication: Chemodivergent phosphonylation of diazocarboxylates: light-on <i>vs</i>. light-off reactions.
• Authors of publication: Pathak, Jalaj Kumar; Kant, Ruchir; Rastogi, Namrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 9.6313 ± 0.0002 Å
• b: 8.3277 ± 0.0002 Å
• c: 18.8433 ± 0.0003 Å
• α: 90°
• β: 95.67 ± 0.002°
• γ: 90°
• Cell volume: 1503.96 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No