Information card for entry 7160065

Structure parameters

• Formula: C19 H13 Cl N2 O4
• Calculated formula: C19 H13 Cl N2 O4
• Title of publication: Metal-free nitro/azido cyclization of 1-acryloyl-2-cyanoindoles to access NO₂/N₃-featuring pyrrolo[1,2-<i>a</i>] indolediones.
• Authors of publication: Liu, Huaqing; Yan, Qinqin; Zeng, Yanzhao; Hou, Xinyi; Wang, Ying; Li, Lijun; Li, Zejiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 6490 - 6494
• a: 10.67 ± 0.009 Å
• b: 10.941 ± 0.01 Å
• c: 28.681 ± 0.019 Å
• α: 89.79 ± 0.03°
• β: 89.93 ± 0.03°
• γ: 89.86 ± 0.03°
• Cell volume: 3348 ± 5 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No