Information card for entry 7131470

Structure parameters

• Formula: C23 H25 N3 O S
• Calculated formula: C23 H25 N3 O S
• Title of publication: Fischer's base-triggered formal (3+2) cycloadditions with 3-isothiocyanato oxindoles as acceptor-donor synthons.
• Authors of publication: Liu, Xiong-Wei; Chen, Zi-Yue; Liu, Ren-Ming; Zhang, Wen-Hui; Pan, Bo-Wen; Zhou, Jian; Tian, You-Ping; Zhou, Ying; Liu, Xiong-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 31
• Pages of publication: 4652 - 4655
• a: 18.8625 ± 0.0012 Å
• b: 8.747 ± 0.0007 Å
• c: 25.549 ± 0.002 Å
• α: 90°
• β: 93.552 ± 0.006°
• γ: 90°
• Cell volume: 4207.2 ± 0.5 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No