Information card for entry 1557692

Structure parameters

• Common name: Veranamine
• Chemical name: 8-bromo-4,5,5-trimethyl-5,6-dihydrobenzo[c][2,7]naphthyridine
• Formula: C15 H16 Br N2
• Calculated formula: C15 H16 Br N2
• SMILES: Brc1ccc2c3c(c(ncc3)C)C([NH2+]c2c1)(C)C
• Title of publication: Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge Verongula rigida
• Authors of publication: Kochanowska-Karamyan, Anna J.; Araujo, Hugo C.; Zhang, Xiong; El-Alfy, Abir; Carvalho, Paulo; Avery, Mitchell A.; Holmbo, Stephen D.; Magolan, Jakob; Hamann, Mark T.
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 10.7086 ± 0.0002 Å
• b: 9.7764 ± 0.0002 Å
• c: 13.0365 ± 0.0003 Å
• α: 90°
• β: 107.06 ± 0.001°
• γ: 90°
• Cell volume: 1304.76 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No