Information card for entry 2000852

Structure parameters

• Formula: C14 H8 O2
• Calculated formula: C14 H8 O2
• SMILES: C1=Cc2c3c(O1)ccc1c3c(cc2)OC=C1
• Title of publication: Structure cristalline du [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyrène)
• Authors of publication: Bideau, J.-P.; Cotrait, M.; Buisson, J.-P.; Demerseman, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1129 - 1131
• a: 9.027 ± 0.004 Å
• b: 3.922 ± 0.001 Å
• c: 13.396 ± 0.006 Å
• α: 90°
• β: 93.127 ± 0.003°
• γ: 90°
• Cell volume: 473.6 ± 0.3 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: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No