Information card for entry 1504732

Structure parameters

• Formula: C44 H38 Br4 O8
• Calculated formula: C44 H38 Br4 O8
• SMILES: Brc1ccc(COC(=O)c2oc(OCc3ccc(Br)cc3)c(c2C(=O)OCc2ccc(Br)cc2)[C@]2([C@@H](C2)C2CCCCC2)C(=O)OCc2ccc(Br)cc2)cc1.Brc1ccc(COC(=O)c2oc(OCc3ccc(Br)cc3)c(c2C(=O)OCc2ccc(Br)cc2)[C@@]2([C@H](C2)C2CCCCC2)C(=O)OCc2ccc(Br)cc2)cc1
• Title of publication: Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes.
• Authors of publication: Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2825 - 2828
• a: 9.712 ± 0.0012 Å
• b: 13.6425 ± 0.0016 Å
• c: 16.0491 ± 0.0018 Å
• α: 100.901 ± 0.008°
• β: 93.183 ± 0.008°
• γ: 95.034 ± 0.009°
• Cell volume: 2074.4 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No