Information card for entry 4114652

Structure parameters

• Formula: C31 H20 N2 O5
• Calculated formula: C31 H20 N2 O5
• SMILES: c1cccc2c(c(c3c4ccccc4C(=O)c3c12)OC(=O)C)N=Nc1c(ccc2ccccc12)OC(=O)C
• Title of publication: Diazo Group Electrophilicity in Kinamycins and Lomaiviticin A: Potential Insights into the Molecular Mechanism of Antibacterial and Antitumor Activity
• Authors of publication: Radoslaw S. Laufer; Gary I. Dmitrienko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1854 - 1855
• a: 11.3401 ± 0.0005 Å
• b: 8.7376 ± 0.0004 Å
• c: 24.6423 ± 0.0012 Å
• α: 90°
• β: 90.944 ± 0.001°
• γ: 90°
• Cell volume: 2441.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No