Information card for entry 1552679

Structure parameters

• Formula: C18 H15 N O5
• Calculated formula: C18 H15 N O5
• SMILES: o1c(c2c(O)c(cc3c2C(=O)C=C(N)C3=O)C)c(cc(c1=O)C)C
• 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: 13.8289 ± 0.0006 Å
• b: 6.8772 ± 0.0003 Å
• c: 16.9481 ± 0.0007 Å
• α: 90°
• β: 108.007 ± 0.002°
• γ: 90°
• Cell volume: 1532.88 ± 0.11 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 300.78 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No