Information card for entry 2000247

Structure parameters

• Formula: C16 H12 O5
• Calculated formula: C16 H12 O5
• SMILES: COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C
• Title of publication: Structure of an anthracene derivative
• Authors of publication: Ulický, L.; Kožíšek, J.; Ječný, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 1879 - 1881
• a: 3.85 ± 0.001 Å
• b: 23.73 ± 0.03 Å
• c: 13.667 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248.6 ± 1.8 ų
• 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
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No