Information card for entry 1554989

Structure parameters

• Formula: C27 H24 N4 O4 S2
• Calculated formula: C27 H24 N4 O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccccc1)CCC(c1c(c2ccccc2)cccc1)N=N#N)c1ccccc1
• Title of publication: Copper-catalyzed 1,3-aminoazidation of arylcyclopropanes: a facile access to 1,3-diamine derivatives
• Authors of publication: Wang, Lihong; Wang, Xiaomin; Zhang, Ge; Yang, Shengbiao; Li, Yan; Zhang, Qian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2934
• a: 9.943 Å
• b: 19.423 Å
• c: 27.408 Å
• α: 90°
• β: 94.84°
• γ: 90°
• Cell volume: 5274.24 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0899
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No