Information card for entry 4024544

Structure parameters

• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: n1c(c(NC(=O)OC(C)(C)C)oc1c1ccccc1)c1ccccc1
• Title of publication: Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries
• Authors of publication: Mark J. Thompson; Harry Adams; Beining Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3856 - 3865
• a: 10.691 ± 0.004 Å
• b: 11.458 ± 0.004 Å
• c: 14.371 ± 0.005 Å
• α: 90°
• β: 90.943 ± 0.005°
• γ: 90°
• Cell volume: 1760.2 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No