Information card for entry 1514265

Structure parameters

• Formula: C18 H20 N2 O3 S
• Calculated formula: C18 H20 N2 O3 S
• SMILES: c1ccccc1C(=O)C(=C\N(C)C)\NS(=O)(=O)c1ccc(cc1)C
• Title of publication: DMF as a Source of Oxygen and Aminomethine: Stereoselective 1,2-Insertion of Rhodium(II) Azavinyl Carbenes into the C═O Bond of Formamides for the Synthesis of cis-Diamino Enones.
• Authors of publication: Jung, Da Jung; Jeon, Hyun Ji; Kim, Ju Hyun; Kim, Youngmee; Lee, Sang-Gi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 2208 - 2211
• a: 8.601 ± 0.0017 Å
• b: 22.967 ± 0.005 Å
• c: 9.524 ± 0.0019 Å
• α: 90°
• β: 104.23 ± 0.03°
• γ: 90°
• Cell volume: 1823.6 ± 0.7 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: 0.0775
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No