Information card for entry 7127839

Structure parameters

• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: O=C1n2c(c(C(=O)C)c(c2c2c1cccc2)c1ccccc1)C
• Title of publication: Iron-catalyzed intramolecular acyl nitrene/alkyne metalation for the synthesis of pyrrolo[2,1-a]isoindol-5-ones.
• Authors of publication: Lai, Xiaojing; Liu, Jin-Biao; Wang, Yu-Chao; Qiu, Guanyinsheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 16
• Pages of publication: 2077 - 2080
• a: 8.094 ± 0.0003 Å
• b: 17.4703 ± 0.0008 Å
• c: 11.2484 ± 0.0005 Å
• α: 90°
• β: 99.299 ± 0.004°
• γ: 90°
• Cell volume: 1569.67 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No