Information card for entry 4124198

Structure parameters

• Formula: C30 H29 N3 O5 S
• Calculated formula: C30 H29 N3 O5 S
• SMILES: S(=O)(=O)(N(c1ncc2n(c3ccccc3c2c1c1ccccc1)C(=O)OC(C)(C)C)c1ccc(OC)cc1)C
• Title of publication: Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.
• Authors of publication: Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9567 - 9570
• a: 14.008 ± 0.003 Å
• b: 15.968 ± 0.003 Å
• c: 12.323 ± 0.002 Å
• α: 90°
• β: 110.095 ± 0.003°
• γ: 90°
• Cell volume: 2588.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.403
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No