Information card for entry 4032891

Structure parameters

• Formula: C24 H24 N2 O3 S
• Calculated formula: C24 H24 N2 O3 S
• SMILES: S(=O)(=O)(N(C(=C\c1ccccc1)/NC(=O)C)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.
• Authors of publication: Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10583 - 10594
• a: 9.235 ± 0.0004 Å
• b: 10.6767 ± 0.0004 Å
• c: 44.894 ± 0.002 Å
• α: 90°
• β: 92.065 ± 0.001°
• γ: 90°
• Cell volume: 4423.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1022
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No