Information card for entry 7134958

Structure parameters

• Formula: C19 H23 Br N O6 P
• Calculated formula: C19 H23 Br N O6 P
• Title of publication: Base-promoted cascade annulation and annulation/carboxylation of α-enolizable phosphoryl substituted ynones and isatins with CO₂.
• Authors of publication: Savoskin, Alexander E.; Efremov, Andrey N.; Murashkina, Arina V.; Gontcharenko, Victoriya E.; Bogdanov, Andrei V.; Mitrofanov, Alexander Yu; Beletskaya, Irina P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 83
• Pages of publication: 16230 - 16233
• a: 10.3187 ± 0.0006 Å
• b: 10.3187 ± 0.0006 Å
• c: 38.654 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4115.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No