Information card for entry 4020840

Structure parameters

• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: O=C(c1ccccc1)[C@@H]1O[C@H]1[C@@H](O)c1ccccc1.O=C(c1ccccc1)[C@H]1O[C@@H]1[C@H](O)c1ccccc1
• Title of publication: A Domino Ring-Opening/Epoxidation of 1,2-Dioxines
• Authors of publication: Ben W. Greatrex; Dennis K. Taylor; Edward R. T. Tiekink
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2580 - 2583
• a: 14.5102 ± 0.0013 Å
• b: 11.6817 ± 0.001 Å
• c: 7.7251 ± 0.0007 Å
• α: 90°
• β: 103.101 ± 0.002°
• γ: 90°
• Cell volume: 1275.4 ± 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