Information card for entry 1503722

Structure parameters

• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: O1C(=O)N(N(c2ccccc2)C(=O)OCc2ccccc2)[C@@H]2[C@H]1C=CC2
• Title of publication: Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.
• Authors of publication: Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 181 - 183
• a: 6.1369 ± 0.0012 Å
• b: 16.452 ± 0.003 Å
• c: 17.008 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.2 ± 0.6 ų
• Cell temperature: 150 ± 1 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: 0.0806
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No