Information card for entry 7159580

Structure parameters

• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: O(C(=O)[C@@]1(c2ccccc2)[C@@H]2N(C(=O)C=C[C@H]12)Cc1ccccc1)C.O(C(=O)[C@]1(c2ccccc2)[C@H]2N(C(=O)C=C[C@@H]12)Cc1ccccc1)C
• Title of publication: Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.
• Authors of publication: He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8273 - 8278
• a: 10.1369 ± 0.0007 Å
• b: 11.3965 ± 0.0008 Å
• c: 15.5049 ± 0.0011 Å
• α: 90°
• β: 98.344 ± 0.007°
• γ: 90°
• Cell volume: 1772.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No