Information card for entry 7232918

Structure parameters

• Formula: C16 H24 Cl2 N2 O3
• Calculated formula: C16 H24 Cl2 N2 O3
• Title of publication: A 3,4-dihalo-2(5H)-furanone initiated ring-opening reaction of DABCO in the absence of a metal catalyst and additive and its application in a one-pot two-step reaction
• Authors of publication: Wu, Han-Qing; Yang, Kai; Chen, Xiao-Yun; Arulkumar, Mani; Wang, Neng; Chen, Si-Hong; Wang, Zhao-Yang
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 3782
• a: 11.1568 ± 0.0015 Å
• b: 17.163 ± 0.002 Å
• c: 9.1319 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No