Information card for entry 7118252

Structure parameters

• Formula: C19 H15 N O4
• Calculated formula: C19 H15 N O4
• SMILES: c12ccccc1OC(=O)[C@]1([C@@H]2CN=C1c1ccccc1)C(=O)OC.c12ccccc1OC(=O)[C@@]1([C@H]2CN=C1c1ccccc1)C(=O)OC
• Title of publication: Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.
• Authors of publication: Zhu, Xu; Chiba, Shunsuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2473 - 2476
• a: 8.3566 ± 0.0006 Å
• b: 17.7311 ± 0.0014 Å
• c: 10.5304 ± 0.0007 Å
• α: 90°
• β: 101.637 ± 0.005°
• γ: 90°
• Cell volume: 1528.24 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No