Information card for entry 7151651

Structure parameters

• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: N1(C(=O)C(=C\c2ccccc2)\OC1=O)Cc1ccccc1
• Title of publication: A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.
• Authors of publication: Chen, Guofei; Fu, Chunling; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 105 - 110
• a: 6.4285 ± 0.0004 Å
• b: 31.4664 ± 0.0018 Å
• c: 7.0702 ± 0.0004 Å
• α: 90°
• β: 106.517 ± 0.002°
• γ: 90°
• Cell volume: 1371.16 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1038
• 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