Information card for entry 7160924

Structure parameters

• Formula: C22 H24 Cl N3 O4
• Calculated formula: C22 H24 Cl N3 O4
• Title of publication: The Ugi reaction in the synthesis of pyrrolo[3,4-<i>c</i>]pyridine derivatives.
• Authors of publication: Fedoseev, Sergey V.; Blinov, Sergey A.; Maksimova, Anna D.; Belikov, Mikhail Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 17.5537 ± 0.0007 Å
• b: 14.0149 ± 0.0006 Å
• c: 8.5784 ± 0.0003 Å
• α: 90°
• β: 90.9271 ± 0.0014°
• γ: 90°
• Cell volume: 2110.12 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No