Information card for entry 1518279

Structure parameters

• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O=C1N(N2[C@H]([C@@H]1c1ccccc1)c1c(CC2)cccc1)C(=O)c1ccccc1
• Title of publication: Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides
• Authors of publication: Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1252
• a: 7.58 ± 0.0001 Å
• b: 13.2149 ± 0.0001 Å
• c: 18.5282 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.95 ± 0.03 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No