Information card for entry 7161136

Structure parameters

• Formula: C33 H35 N3 O3
• Calculated formula: C33 H35 N3 O3
• Title of publication: Synthesis of bisindole scaffolds by palladium-catalyzed allylic alkylation of <i>N</i>-aminoindole with <i>ortho</i>-iodoaryl allenes.
• Authors of publication: Ding, Chenyue; Yin, Yuan; Hu, Enyu; Dong, Huiwen; He, Yanru; Wu, Shuaijie; Han, Ying; Wang, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4227 - 4231
• a: 10.7544 ± 0.0008 Å
• b: 15.4745 ± 0.0011 Å
• c: 17.0735 ± 0.0014 Å
• α: 90°
• β: 92.652 ± 0.003°
• γ: 90°
• Cell volume: 2838.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1153
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No