Information card for entry 2100929

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: COC1=CC(=N/c2c3ccccc3nc3c2cccc3)/C=CC1=O
• 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: 9.365 ± 0.001 Å
• b: 13.318 ± 0.002 Å
• c: 6.918 ± 0.003 Å
• α: 96.45 ± 0.03°
• β: 105.3 ± 0.02°
• γ: 110.11 ± 0.01°
• Cell volume: 761.6 ± 0.4 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