Information card for entry 7129877

Structure parameters

• Formula: C24 Cl N O6
• Calculated formula: C24 Cl N O6
• Title of publication: Synthesis of Polycyclic Spiropyrans via Rh(III)-Catalyzed Twofold C-H Annulation of 3-aryl-2H-benzo[b][1,4]oxazines with Diazo Ketoesters
• Authors of publication: Yang, Xifa; Zhang, Jing Jing; Zhang, Mengying; Lu, Mingxin; He, Yuhao; Li, Song; fan, liangxin; Zhang, Xinle; Wu, Jia-Kai
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.4404 ± 0.0007 Å
• b: 13.221 ± 0.0011 Å
• c: 18.9283 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2112.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0858
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No