Information card for entry 7135660

Structure parameters

• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• Title of publication: Iridium-Catalyzed Intramolecular Asymmetric Allylic Amination of Anthranilic Acid Derivatives: Enantioselective Construction of Chiral Benzodiazepinones
• Authors of publication: Wu, Yunru; Pan, Bendu; Jiang, Long; Cao, Rihui; Qiu, Liqin
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 8.42816 ± 0.00005 Å
• b: 11.09278 ± 0.00009 Å
• c: 22.92566 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2143.36 ± 0.03 ų
• Cell temperature: 293.5 ± 0.5 K
• Ambient diffraction temperature: 293.5 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.038
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No