Information card for entry 7131630

Structure parameters

• Formula: C24 H19 Cl N2 O
• Calculated formula: C24 H19 Cl N2 O
• Title of publication: Rhodium(III)-catalyzed mild and regioselective dearomative spirocyclization of 2-aryl-3-nitrosoindoles with alkynes.
• Authors of publication: Li, Cheng; Zhao, Bin; Mao, Guojiang; Deng, Guo-Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 46
• Pages of publication: 7044 - 7047
• a: 11.2188 ± 0.0004 Å
• b: 20.7777 ± 0.0007 Å
• c: 8.83 ± 0.0003 Å
• α: 90°
• β: 109.93 ± 0.004°
• γ: 90°
• Cell volume: 1935.01 ± 0.13 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 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: 0.0524
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No