Information card for entry 2001053

Structure parameters

• Formula: C20 H13 N O4
• Calculated formula: C20 H13 N O4
• SMILES: Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O
• Title of publication: Structure of 1-amino-4-hydroxy-2-phenoxy-9,10-anthracenedione
• Authors of publication: Black, S. N.; Davey, R. J.; O'Mahoney, C. A.; Williams, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 321 - 323
• a: 14.972 ± 0.003 Å
• b: 5.141 ± 0.001 Å
• c: 19.853 ± 0.003 Å
• α: 90°
• β: 94.15 ± 0.02°
• γ: 90°
• Cell volume: 1524.1 ± 0.5 ų
• Number of distinct elements: 4
• 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