Information card for entry 7160757

Structure parameters

• Formula: C21 H14 N2 O2
• Calculated formula: C21 H14 N2 O2
• Title of publication: Synthesis of fused indolin-3-one derivatives <i>via</i> (3 + 2)-cycloaddition of <i>in situ</i> generated 3<i>H</i>-indol-3-one with nitrilimines, nitrile oxides and azomethine ylides.
• Authors of publication: Arutiunov, Nikolai A.; Zatsepilina, Anna M.; Tolstov, Kirill V.; Shtal, Daria A.; Momotova, Daria S.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aksenov, Alexander V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9198 - 9210
• a: 11.1565 ± 0.0002 Å
• b: 9.3159 ± 0.0001 Å
• c: 15.0212 ± 0.0002 Å
• α: 90°
• β: 95.647 ± 0.001°
• γ: 90°
• Cell volume: 1553.62 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No