Information card for entry 7161188

Structure parameters

• Formula: C22 H24 Br N5 O2
• Calculated formula: C22 H24 Br 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: 10.5852 ± 0.0004 Å
• b: 10.6601 ± 0.0004 Å
• c: 12.5702 ± 0.0005 Å
• α: 67.988 ± 0.002°
• β: 73.696 ± 0.002°
• γ: 61.663 ± 0.002°
• Cell volume: 1148.21 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0846
• 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