Information card for entry 7100757

Structure parameters

• Formula: C22 H28 O5
• Calculated formula: C22 H28 O5
• SMILES: C1C[C@H]2[C@@H]3[C@H]4[C@@H]([C@H]([C@H]5CCCCC5=C4C(=O)[C@@H]3[C@@H]1C2)C(=O)OC)C(=O)OC.C1C[C@@H]2[C@H]3[C@@H]4[C@H]([C@@H]([C@@H]5CCCCC5=C4C(=O)[C@H]3[C@H]1C2)C(=O)OC)C(=O)OC
• 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: 10.8847 ± 0.0004 Å
• b: 9.8634 ± 0.0005 Å
• c: 18.9142 ± 0.0005 Å
• α: 90°
• β: 103.398 ± 0.002°
• γ: 90°
• Cell volume: 1975.37 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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