Information card for entry 2101410

Structure parameters

• Common name: Triostin A
• Formula: C56 H77 Cl N14 O14 S2
• Calculated formula: C56 H77 Cl N14 O14 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: 10.622 ± 0.01 Å
• b: 17.035 ± 0.017 Å
• c: 35.21 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6371 ± 10 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections: 0.2084
• Weighted residual factors for significantly intense reflections: 0.1641
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No