Information card for entry 1504530

Structure parameters

• Formula: C22 H11 Br Cl4 N2 O4
• Calculated formula: C22 H11 Br Cl4 N2 O4
• SMILES: Brc1c(n(c(Cl)c1Cl)c1c(Cl)c(Cl)[nH]c1C(=O)c1ccccc1O)C(=O)c1c(O)cccc1
• Title of publication: The marinopyrroles, antibiotics of an unprecedented structure class from a marine Streptomyces sp.
• Authors of publication: Hughes, Chambers C.; Prieto-Davo, Alejandra; Jensen, Paul R.; Fenical, William
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 629 - 631
• a: 8.6266 ± 0.0011 Å
• b: 14.8226 ± 0.0019 Å
• c: 17.985 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No