Information card for entry 1503682

Structure parameters

• Formula: C10 H3 Cl6 N O
• Calculated formula: C10 H3 Cl6 N O
• SMILES: Clc1cn(c(Cl)c1Cl)c1c(O)cc(Cl)c(Cl)c1Cl
• Title of publication: Neopyrrolomycins with broad spectrum antibacterial activity.
• Authors of publication: Hopp, D. Craig; Rhea, Joshua; Jacobsen, Daniel; Romari, Khadidja; Smith, Chris; Rabenstein, John; Irigoyen, Macarena; Clarke, Midori; Francis, Linda; Luche, Michele; Carr, Grant J.; Mocek, Ulla
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 276 - 279
• a: 8.74 ± 0.0019 Å
• b: 7.758 ± 0.004 Å
• c: 9.939 ± 0.004 Å
• α: 90°
• β: 99.24 ± 0.02°
• γ: 90°
• Cell volume: 665.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No