Information card for entry 7062383

Structure parameters

• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O=C1N(C(=O)[C@H]2[C@@H]1C(=N[C@@H]2c1ccccc1)c1ccccc1)C.O=C1N(C(=O)[C@@H]2[C@H]1C(=N[C@H]2c1ccccc1)c1ccccc1)C
• Title of publication: Visible light-promoted synthesis of 4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-diones via [3+2] cycloaddition reaction of 2H-azirines with maleimides
• Authors of publication: Guo, Hao; Wang, Huahao; Zhao, Hongyi; Zhang, Dongfeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5634 - 5638
• a: 8.9663 ± 0.0002 Å
• b: 9.2196 ± 0.0003 Å
• c: 10.1384 ± 0.0003 Å
• α: 109.529 ± 0.003°
• β: 106.432 ± 0.002°
• γ: 96.016 ± 0.002°
• Cell volume: 738.97 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No