Information card for entry 4020443

Structure parameters

• Formula: C13 H16 O3
• Calculated formula: C13 H16 O3
• SMILES: O=C(C[C@@H]1OCCC[C@H]1O)c1ccccc1
• 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: 5.7086 ± 0.0003 Å
• b: 13.0589 ± 0.0007 Å
• c: 15.2878 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1139.68 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No