Information card for entry 1546124

Structure parameters

• Formula: C24 H23 N3 O3 S
• Calculated formula: C24 H23 N3 O3 S
• SMILES: S(=O)(=O)(N(C(=C\c1ccccc1)/N1OC(N=C1c1ccccc1)c1ccccc1)C)C
• Title of publication: Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.
• Authors of publication: Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3307 - 3310
• a: 15.862 ± 0.002 Å
• b: 15.219 ± 0.002 Å
• c: 18.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4519.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No