Information card for entry 1545434

Structure parameters

• Formula: C26 H25 N3 O3 S
• Calculated formula: C26 H25 N3 O3 S
• SMILES: S(=O)(=O)(N(C)c1c(n(c(n1)c1ccc(cc1)C)C(=O)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: α-Imino Gold Carbenes from 1,2,4-Oxadiazoles: Atom-Economical Access to Fully Substituted 4-Aminoimidazoles.
• Authors of publication: Zeng, Zhongyi; Jin, Hongming; Xie, Jin; Tian, Bing; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1020 - 1023
• a: 22.3549 ± 0.0008 Å
• b: 14.4762 ± 0.0005 Å
• c: 16.9648 ± 0.0006 Å
• α: 90°
• β: 121.65 ± 0.0008°
• γ: 90°
• Cell volume: 4673.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No