Information card for entry 7100759

Structure parameters

• Formula: C25 H25 O6
• Calculated formula: C25 H26 O6
• SMILES: C1(=O)[C@@H]2[C@H]3c4ccccc4[C@@H]([C@@H]2[C@H]2[C@H]([C@@H]([C@H]4CCCCC4=C12)C(=O)OC)C(=O)OC)O3.C1(=O)[C@H]2[C@@H]3c4ccccc4[C@H]([C@H]2[C@@H]2[C@@H]([C@H]([C@@H]4CCCCC4=C12)C(=O)OC)C(=O)OC)O3
• 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: 8.613 ± 0.0006 Å
• b: 23.0367 ± 0.0009 Å
• c: 10.7028 ± 0.0007 Å
• α: 90°
• β: 95.494 ± 0.002°
• γ: 90°
• Cell volume: 2113.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No