Information card for entry 4038747

Structure parameters

• Formula: C30 H25 N3 O4 S
• Calculated formula: C30 H25 N3 O4 S
• Title of publication: [4 + 2] Annulation Reaction of <i>In Situ</i> Generated Azoalkenes with Azlactones: Access to 4,5-Dihydropyridazin-3(2<i>H</i>)-Ones.
• Authors of publication: Yuan, Wei-Cheng; Quan, Bao-Xue; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 30.4299 ± 0.0004 Å
• b: 8.50556 ± 0.00007 Å
• c: 22.1713 ± 0.0003 Å
• α: 90°
• β: 112.626 ± 0.0016°
• γ: 90°
• Cell volume: 5296.81 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0599
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No