Information card for entry 1548903

Structure parameters

• Common name: EO-469-GIII
• Formula: C26 H44 N4 O4
• Calculated formula: C26 H44 N4 O4
• SMILES: C1(N)=[NH+][C@]2([C@H](CN1)[C@@]1([C@](CC2)(C2=C([C@@H](C1)O)[C@@]1([C@@H](CC2)C(CCC1)(C)C)C)C)C)C.N(=O)(=O)[O-]
• Title of publication: Cybastacines A and B: Antibiotic Sesterterpenes from a Nostoc sp. Cyanobacterium
• Authors of publication: Cabanillas, Alfredo H.; Tena Pérez, Víctor; Maderuelo Corral, Santiago; Rosero Valencia, Diego Fernando; Martel Quintana, Antera; Ortega Doménech, Montserrat; Rumbero Sánchez, Ángel
• Journal of publication: Journal of Natural Products
• Year of publication: 2018
• a: 7.5796 ± 0.0003 Å
• b: 11.3035 ± 0.0005 Å
• c: 14.7799 ± 0.0007 Å
• α: 90°
• β: 92.183 ± 0.002°
• γ: 90°
• Cell volume: 1265.36 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No