Information card for entry 7157728

Structure parameters

• Formula: C24 H21 N3 O2
• Calculated formula: C24 H21 N3 O2
• SMILES: O(/N=C(/c1c2c(n(c1)c1ccccc1)cccc2NC(=O)c1ccccc1)C)C
• Title of publication: Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.
• Authors of publication: Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 39
• Pages of publication: 7922 - 7931
• a: 9.5144 ± 0.0005 Å
• b: 13.3582 ± 0.0007 Å
• c: 16.0144 ± 0.001 Å
• α: 90°
• β: 102.194 ± 0.002°
• γ: 90°
• Cell volume: 1989.43 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No