Information card for entry 2227072

Structure parameters

• Chemical name: Ethyl 5,8-dibromo-2-dibromomethyl-6,7-dimethoxyquinoline-3-carboxylate
• Formula: C15 H13 Br4 N O4
• Calculated formula: C15 H13 Br4 N O4
• SMILES: BrC(Br)c1c(cc2c(Br)c(c(c(Br)c2n1)OC)OC)C(=O)OCC
• Title of publication: Ethyl 5,8-dibromo-2-dibromomethyl-6,7-dimethoxyquinoline-3-carboxylate
• Authors of publication: Zhou, Ting; Long, Yu-hua; Yang, Ding-qiao; Zhang, Han-mei; Wang, Wen-ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2155
• a: 8.992 ± 0.002 Å
• b: 9.632 ± 0.002 Å
• c: 11.454 ± 0.003 Å
• α: 84.868 ± 0.003°
• β: 71.948 ± 0.003°
• γ: 77.552 ± 0.003°
• Cell volume: 920.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes