Information card for entry 2101407

Structure parameters

• Common name: Echinomycin.2QN
• Formula: C60.5 H86 N10 O17 S2
• Calculated formula: C60.5 H86 N10 O17 S2
• Title of publication: Structures of quinoxaline antibiotics
• Authors of publication: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 987 - 999
• a: 22.196 ± 0.015 Å
• b: 22.196 ± 0.015 Å
• c: 24.64 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10513 ± 13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections: 0.2548
• Weighted residual factors for significantly intense reflections: 0.2259
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No