Information card for entry 1519656

Structure parameters

• Formula: C25 H20 N2 O2
• Calculated formula: C25 H20 N2 O2
• SMILES: c1(ccccc1)N1[C@@H]2[C@@H]3[C@H]([C@H]1c1ccccc21)C(=O)N(C3=O)Cc1ccccc1
• Title of publication: Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.
• Authors of publication: Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2684 - 2687
• a: 13.373 ± 0.002 Å
• b: 16.581 ± 0.003 Å
• c: 8.8083 ± 0.0016 Å
• α: 90°
• β: 93.638 ± 0.003°
• γ: 90°
• Cell volume: 1949.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No