Information card for entry 1520762

Structure parameters

• Formula: C18 H23 N O4
• Calculated formula: C18 H23 N O4
• SMILES: O1c2ccccc2[C@@H]2[C@H](C1=O)CC[C@@](O)([C@H]2N(=O)=CCCC)C
• Title of publication: A New Approach to Nitrones through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis.
• Authors of publication: Lin, Cheng-Wei; Hong, Bor-Cherng; Chang, Wan-Chen; Lee, Gene-Hsiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2314 - 2317
• a: 5.2667 ± 0.0002 Å
• b: 15.2534 ± 0.0006 Å
• c: 20.3019 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.95 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No