Information card for entry 7128135

Structure parameters

• Formula: C19 H19 Cl N4 O5
• Calculated formula: C19 H19 Cl N4 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: 11.8048 ± 0.0009 Å
• b: 15.1785 ± 0.001 Å
• c: 16.7524 ± 0.0012 Å
• α: 89.985 ± 0.006°
• β: 87.821 ± 0.006°
• γ: 80.497 ± 0.006°
• Cell volume: 2958.3 ± 0.4 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No