Information card for entry 7161189

Structure parameters

• Formula: C23 H24 F3 N5 O2
• Calculated formula: C23 H24 F3 N5 O2
• Title of publication: Synthesis of azido-modified enamides <i>via</i> CC isomerisation of functionalised Ugi adducts.
• Authors of publication: Vereshchak, Vladyslav; Fadieieva, Sofia; Kasianenko, Yevhen; Saraiev, Viacheslav; Shvets, Olena; Musatov, Vladimir; Shishkina, Svitlana; Chebanov, Valentyn; Tsygankov, Alexander
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4264 - 4272
• a: 13.0756 ± 0.0009 Å
• b: 9.4088 ± 0.0007 Å
• c: 18.7599 ± 0.0013 Å
• α: 90°
• β: 91.011 ± 0.002°
• γ: 90°
• Cell volume: 2307.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No