Information card for entry 7158276

Structure parameters

• Formula: C21 H17 Cl N2 O4
• Calculated formula: C21 H17 Cl N2 O4
• Title of publication: Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.
• Authors of publication: Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 36
• Pages of publication: 7875 - 7882
• a: 27.3068 ± 0.0011 Å
• b: 7.9003 ± 0.0003 Å
• c: 18.7137 ± 0.0008 Å
• α: 90°
• β: 108.028 ± 0.001°
• γ: 90°
• Cell volume: 3838.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No