Information card for entry 7133160

Structure parameters

• Formula: C27 H29 N O4 S2
• Calculated formula: C27 H29 N O4 S2
• Title of publication: Facile synthesis of 2-vinylindolines <i>via</i> a phosphine-mediated α-umpolung/Wittig olefination/cyclization cascade process.
• Authors of publication: Li, Shuhui; Xu, Dan; Yao, Hui; Tan, Mengting; Li, Xiaoxuan; Liu, Mingguo; Wang, Long; Huang, Nianyu; Wang, Nengzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 53
• Pages of publication: 6773 - 6776
• a: 9.2418 ± 0.0001 Å
• b: 19.5215 ± 0.0003 Å
• c: 14.0366 ± 0.0002 Å
• α: 90°
• β: 99.178 ± 0.002°
• γ: 90°
• Cell volume: 2499.98 ± 0.06 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 5
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No