Information card for entry 2100930

Structure parameters

• Formula: C22 H19 N3 O2
• Calculated formula: C22 H19 N3 O2
• SMILES: COC1=CC(=N\c2c3ccccc3nc3c2cccc3)/C(=CC1=O)N(C)C
• 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: 8.091 ± 0.007 Å
• b: 10.078 ± 0.002 Å
• c: 11.716 ± 0.003 Å
• α: 108.39 ± 0.02°
• β: 99.63 ± 0.04°
• γ: 95.87 ± 0.03°
• Cell volume: 881.4 ± 0.8 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No