Information card for entry 7160139

Structure parameters

• Common name: oxo-aplisinopsyn
• Chemical name: (S,E)-5-((1H-indol-3-yl)methylene)-3-(4-chlorophenyl)-1-(1-phenylethyl)imidazoli
• Formula: C26 H20 Cl N3 O2
• Calculated formula: C26 H20 Cl N3 O2
• Title of publication: (Dimethylamino)methylene Hydantoins as Building Blocks in the Synthesis of Oxoaplysinopsins and Parabanic Acids with Antifungal Activity
• Authors of publication: BARRERA, EDSON; Jerezano Dominguez, Alberto Vinicio; Reyes-González, ULISES F.; Martínez-López, Daniela; Escalante, Carlos H.; Lopez, Julio; Martínez-Mora, Eder I.; Gómez-García, Omar; Andrade-Pavón, Dulce; Villa-Tanaca, Lourdes; Delgado Reyes, Francisco; Tamariz, Joaquin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 6.5034 ± 0.0004 Å
• b: 18.5739 ± 0.0013 Å
• c: 18.554 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1943
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No