Information card for entry 2000458

Structure parameters

• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
• Title of publication: Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton
• Authors of publication: Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2016 - 2019
• a: 11.004 ± 0.001 Å
• b: 12.6209 ± 0.0009 Å
• c: 9.692 ± 0.0008 Å
• α: 90°
• β: 108.224 ± 0.007°
• γ: 90°
• Cell volume: 1278.51 ± 0.19 ų
• 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
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No