Information card for entry 4516693

Structure parameters

• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• SMILES: O=C(N[C@H]1CCCC[C@@H]1[C@]1(C(=O)Oc2ccccc12)c1ccccc1)c1ccccn1
• Title of publication: Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst
• Authors of publication: Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 7432
• a: 9.4911 ± 0.0004 Å
• b: 9.8015 ± 0.0003 Å
• c: 12.0673 ± 0.0005 Å
• α: 90°
• β: 103.604 ± 0.004°
• γ: 90°
• Cell volume: 1091.09 ± 0.07 ų
• Cell temperature: 300.79 ± 0.1 K
• Ambient diffraction temperature: 300.79 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No