Information card for entry 1552680

Structure parameters

• Formula: C24 H29 N O8
• Calculated formula: C24 H29 N O8
• SMILES: O1[C@@H]([C@@H](C(=O)c2c(O)c(cc3c2C(=O)C=C(N)C3=O)C)C)[C@@H]([C@@H]2OC(=O)[C@H]([C@H]1[C@@H]2C)C)C.O
• Title of publication: Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.
• Authors of publication: da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 1831 - 1838
• a: 8.6893 ± 0.0003 Å
• b: 15.2942 ± 0.0006 Å
• c: 16.9431 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.67 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 4
• 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: 0.1298
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No