Information card for entry 7161190

Structure parameters

• Formula: C22 H24 Br Cl N2 O2
• Calculated formula: C22 H24 Br Cl N2 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: 9.8782 ± 0.0008 Å
• b: 9.9069 ± 0.001 Å
• c: 24.552 ± 0.002 Å
• α: 94.318 ± 0.005°
• β: 96.651 ± 0.005°
• γ: 112.907 ± 0.005°
• Cell volume: 2179.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2604
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No