Information card for entry 7122415

Structure parameters

• Formula: C23 H20 Cl2 N2
• Calculated formula: C23 H20 Cl2 N2
• Title of publication: Divergent synthesis of N-heterocycles by Pd-catalyzed controllable cyclization of vinylethylene carbonates.
• Authors of publication: Yang, Yuwen; Yang, Weibo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 86
• Pages of publication: 12182 - 12185
• a: 5.8417 ± 0.0002 Å
• b: 26.828 ± 0.0009 Å
• c: 28.4867 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4464.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No