Information card for entry 2100928

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: COC1=CC(=O)C=C/C1=N\c1c2ccccc2nc2c1cccc2
• Title of publication: Structures of quinone imine metabolites related to the anti-cancer drug amsacrine
• Authors of publication: Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 342 - 347
• a: 13.451 ± 0.008 Å
• b: 7.007 ± 0.004 Å
• c: 17.864 ± 0.012 Å
• α: 90°
• β: 117.26 ± 0.04°
• γ: 90°
• Cell volume: 1496.7 ± 1.7 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No