Information card for entry 7129103

Structure parameters

• Formula: C29 H26 N2 O4
• Calculated formula: C29 H26 N2 O4
• SMILES: c1ccccc1C1=Nc2ccccc2C21CC(C(=O)OCC)(C(=O)OCC)N=C2c1ccccc1
• Title of publication: Palladium-catalysed imidoylative spirocyclization of 3-(2-isocyanoethyl)indoles.
• Authors of publication: Tang, Shi; Ding, Shumin; Li, Dan; Li, Lianjie; Zhao, Haixia; Chai, Minxue; Wang, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 81
• Pages of publication: 10576 - 10579
• a: 11.3994 ± 0.0008 Å
• b: 10.3299 ± 0.0008 Å
• c: 20.9886 ± 0.0015 Å
• α: 90°
• β: 97.981 ± 0.001°
• γ: 90°
• Cell volume: 2447.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No