Information card for entry 2007659

Structure parameters

• Chemical name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15(1),17-diene-16,19-dione
• Formula: C14 H18 O7
• Calculated formula: C14 H18 O7
• SMILES: O=C1C=CC(=O)C2=C1OCCOCCOCCOCCO2
• Title of publication: 2,3-Benzoquino[15]crown-5
• Authors of publication: Akihiko Tsuda; Tatsuya Kawamoto; Takumi Oshima
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1362 - 1364
• a: 10.892 ± 0.006 Å
• b: 15.82 ± 0.01 Å
• c: 8.223 ± 0.003 Å
• α: 90°
• β: 98.55 ± 0.04°
• γ: 90°
• Cell volume: 1401.2 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No