Information card for entry 4020445

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O(CCCC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)C
• 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: 5.5546 ± 0.0005 Å
• b: 39.599 ± 0.003 Å
• c: 7.3808 ± 0.0006 Å
• α: 90°
• β: 98.301 ± 0.002°
• γ: 90°
• Cell volume: 1606.4 ± 0.2 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