Information card for entry 1568904

Structure parameters

• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: O=C(OC)[C@@]1(N=C([C@@H]2[C@H]1C(=O)N(C)C2=O)C)c1ccccc1.O=C(OC)[C@]1(N=C([C@H]2[C@@H]1C(=O)N(C)C2=O)C)c1ccccc1
• Title of publication: Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines <i>via</i> carbene radical anions.
• Authors of publication: Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6216 - 6225
• a: 22.713 ± 0.003 Å
• b: 10.751 ± 0.0012 Å
• c: 16.371 ± 0.002 Å
• α: 90°
• β: 133.633 ± 0.007°
• γ: 90°
• Cell volume: 2893.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No