Information card for entry 7100760

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: C1(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2[C@@H]2C1=C1CCCC[C@@H]1[C@@H]1C(=O)NC(=O)[C@H]21)C3.C1(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2[C@H]2C1=C1CCCC[C@H]1[C@H]1C(=O)NC(=O)[C@@H]21)C3
• Title of publication: Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction
• Authors of publication: Young Keun Chung; Do Han Kim
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.47 ± 0.004 Å
• b: 6.352 ± 0.002 Å
• c: 24.228 ± 0.008 Å
• α: 90°
• β: 95.129 ± 0.014°
• γ: 90°
• Cell volume: 1604.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No