Information card for entry 4021326

Structure parameters

• Formula: C18 H15 N O4
• Calculated formula: C18 H15 N O4
• SMILES: O1C(=O)C(=C)[C@@]([C@@H]1c1ccc(N(=O)=O)cc1)(C)c1ccccc1.O1C(=O)C(=C)[C@]([C@H]1c1ccc(N(=O)=O)cc1)(C)c1ccccc1
• Title of publication: Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers
• Authors of publication: Jason W. J. Kennedy; Dennis G. Hall
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4412 - 4428
• a: 13.6632 ± 0.0013 Å
• b: 9.8807 ± 0.0009 Å
• c: 22.901 ± 0.002 Å
• α: 90°
• β: 98.491 ± 0.002°
• γ: 90°
• Cell volume: 3057.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No