Information card for entry 1568905

Structure parameters

• Formula: C22 H19 Cl N2 O4
• Calculated formula: C22 H19 Cl N2 O4
• SMILES: Clc1ccc(C2=N[C@@]3(O[C@@]2(OC)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C)cc1.Clc1ccc(C2=N[C@]3(O[C@]2(OC)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C)cc1
• 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: 13.4772 ± 0.001 Å
• b: 8.9459 ± 0.0007 Å
• c: 15.8469 ± 0.0009 Å
• α: 90°
• β: 94.187 ± 0.002°
• γ: 90°
• Cell volume: 1905.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No