Information card for entry 4032935

Structure parameters

• Formula: C22 H23 N O3 S
• Calculated formula: C22 H22.5 N O3 S
• SMILES: S(=O)(=O)(C)N(c1ccccc1)c1c(c(c(CCC=C)o1)C)c1ccccc1
• Title of publication: Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes.
• Authors of publication: Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 11134 - 11140
• a: 10.7119 ± 0.0007 Å
• b: 12.3681 ± 0.0007 Å
• c: 15.6167 ± 0.001 Å
• α: 88.64 ± 0.004°
• β: 76.819 ± 0.004°
• γ: 85.895 ± 0.004°
• Cell volume: 2009.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No