Information card for entry 7159059

Structure parameters

• Formula: C25 H19 N O5
• Calculated formula: C25 H19 N O5
• SMILES: O1C(=O)C(=C[C@@H]1[C@H](c1ccc(N(=O)=O)cc1)CC(=O)c1ccccc1)c1ccccc1.O1C(=O)C(=C[C@H]1[C@@H](c1ccc(N(=O)=O)cc1)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.
• Authors of publication: Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 783 - 788
• a: 7.608 ± 0.0003 Å
• b: 10.7491 ± 0.0003 Å
• c: 13.6882 ± 0.0004 Å
• α: 104.255 ± 0.002°
• β: 103.185 ± 0.003°
• γ: 102.624 ± 0.003°
• Cell volume: 1010.59 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No