Information card for entry 7160510

Structure parameters

• Chemical name: 3-(1-imino-2-methyl-3-oxo-9-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)-2,2-dimethylpropanenitrile
• Formula: C23 H21 N3 O
• Calculated formula: C23 H21 N3 O
• Title of publication: Efficient synthesis of pyrrolo[1,2-<i>a</i>]indol-3-ones through a radical-initiated cascade cyclization reaction.
• Authors of publication: Zhang, Han; Lin, Yuze; Yang, Gang; Yang, Xifa; Cui, Xiuling
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4966 - 4970
• a: 22.05 ± 0.002 Å
• b: 8.2245 ± 0.0013 Å
• c: 21.735 ± 0.003 Å
• α: 90°
• β: 100.182 ± 0.011°
• γ: 90°
• Cell volume: 3879.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No