Information card for entry 7155251

Structure parameters

• Formula: C19 H24 N4 O3 S
• Calculated formula: C19 H24 N4 O3 S
• SMILES: S(=O)(=O)(C)N(c1c(c2ccccc2)c(c(CN=N#N)o1)C)C1CCCCC1
• Title of publication: Direct access to 2-amino-5-azidomethylfurans through palladium-catalyzed azidative cycloisomerization of homoallenyl amides.
• Authors of publication: Huang, Qianwen; Zheng, Hanliang; Liu, Shuiyou; Kong, Lichun; Luo, Fang; Zhu, Gangguo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 8557 - 8563
• a: 11.8249 ± 0.0004 Å
• b: 13.3798 ± 0.0004 Å
• c: 13.3981 ± 0.0005 Å
• α: 79.783 ± 0.002°
• β: 77.825 ± 0.002°
• γ: 78.013 ± 0.002°
• Cell volume: 2007.04 ± 0.12 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: 0.068
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No