Information card for entry 4109082

Structure parameters

• Formula: C20 H12 Br4 O2
• Calculated formula: C20 H12 Br4 O2
• SMILES: Brc1cc2C=C[C@H]3[C@H](O[C@@H]4[C@H]3[C@@H]3O[C@H]4c4cc(Br)c(Br)cc34)c2cc1Br
• Title of publication: Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes
• Authors of publication: Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1492 - 1493
• a: 10.419 ± 0.005 Å
• b: 7.186 ± 0.003 Å
• c: 12.309 ± 0.006 Å
• α: 90°
• β: 91.26 ± 0.02°
• γ: 90°
• Cell volume: 921.4 ± 0.7 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No