Information card for entry 7130315

Structure parameters

• Formula: C27 H28 N2 O3
• Calculated formula: C27 H28 N2 O3
• Title of publication: Substrate-directed divergent synthesis of fused indole polycycles through Rh(II)-catalyzed cascade reactions of bis(diazo)indolin-2-ones
• Authors of publication: Zhao, Yang; Niu, Xin-Yue; Yang, Hong; Yang, Jing; Wang, Zhizeng; Wang, Qi-Lin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.0515 ± 0.0003 Å
• b: 21.279 ± 0.0006 Å
• c: 9.5549 ± 0.0003 Å
• α: 90°
• β: 100.608 ± 0.001°
• γ: 90°
• Cell volume: 2208.58 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No