Information card for entry 7121789

Structure parameters

• Common name: Imidazolidine
• Chemical name: Ethyl (2S,4S,5S)-2,5-bis(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-phenylimidazolidine-4-carboxylate
• Formula: C28 H28 Br2 N2 O4
• Calculated formula: C28 H28 Br2 N2 O4
• Title of publication: Tandem nucleophilic addition-cycloaddition of arynes with α-iminoesters: two concurrent pathways to imidazolidines.
• Authors of publication: Jia, Hao; Guo, Zhenyan; Liu, Honglei; Mao, Biming; Shi, Xueyan; Guo, Hongchao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 51
• Pages of publication: 7050 - 7053
• a: 8.3572 ± 0.0003 Å
• b: 15.2648 ± 0.0005 Å
• c: 20.6156 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2629.95 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0837
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No