Information card for entry 4030683

Structure parameters

• Formula: C17 H14 Br3 Cl3 O6
• Calculated formula: C17 H14 Br3 Cl3 O6
• SMILES: Br[C@]1(C[C@](CC(Cl)(Cl)Cl)(COC1=O)C(=O)OC)COC(=O)c1cc(Br)cc(Br)c1.Br[C@@]1(C[C@@](CC(Cl)(Cl)Cl)(COC1=O)C(=O)OC)COC(=O)c1cc(Br)cc(Br)c1
• Title of publication: Stereoselective Formation of Eight-Membered Rings by Radical Cyclization of Silylenedioxy-Tethered Bis-methacrylate Derivatives.
• Authors of publication: Meng, Fan-Yi; Huang, Shou-Ling; Liu, Yi-Hung; Hu, Ziqiang; Lai, Guoqiao; Luh, Tien-Yau
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 2869 - 2873
• a: 6.0225 ± 0.0004 Å
• b: 13.2389 ± 0.0011 Å
• c: 14.6415 ± 0.0014 Å
• α: 67.651 ± 0.008°
• β: 82.712 ± 0.007°
• γ: 84.717 ± 0.006°
• Cell volume: 1069.75 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No