Information card for entry 7128136

Structure parameters

• Formula: C20 H19 Cl2 N3 O5
• Calculated formula: C20 H19 Cl2 N3 O5
• Title of publication: Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.
• Authors of publication: Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 37
• Pages of publication: 4552 - 4555
• a: 14.9392 ± 0.0005 Å
• b: 15.2205 ± 0.0004 Å
• c: 19.081 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4338.7 ± 0.2 ų
• Cell temperature: 295.28 ± 0.11 K
• Ambient diffraction temperature: 295.28 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No