Information card for entry 4020444

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O1[C@H]([C@@H](OC(=O)C)CCC1)CC(=O)c1ccc2ccccc2c1.O1[C@@H]([C@H](OC(=O)C)CCC1)CC(=O)c1ccc2ccccc2c1
• Title of publication: 1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses
• Authors of publication: Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8344 - 8351
• a: 35.331 ± 0.003 Å
• b: 10.4015 ± 0.0008 Å
• c: 8.7744 ± 0.0007 Å
• α: 90°
• β: 96.181 ± 0.002°
• γ: 90°
• Cell volume: 3205.8 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No