Information card for entry 7159098

Structure parameters

• Formula: C43 H45 N3 O7 S2
• Calculated formula: C43 H45 N3 O7 S2
• Title of publication: Diastereoselective synthesis of polycyclic indolines <i>via</i> dearomative [4 + 2] cycloaddition of 3-nitroindoles with <i>ortho</i>-aminophenyl <i>p</i>-quinone methides.
• Authors of publication: Zhou, Shun; Qian, Hui-Ling; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yin, Jun-Qing; Zhang, Yan-Ping; Chen, Ming-Feng; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1373 - 1378
• a: 14.5995 ± 0.0002 Å
• b: 10.0324 ± 0.0002 Å
• c: 27.7318 ± 0.0005 Å
• α: 90°
• β: 104.995 ± 0.0018°
• γ: 90°
• Cell volume: 3923.5 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No