Information card for entry 7153055

Structure parameters

• Formula: C20 H23 Br O4
• Calculated formula: C20 H23 Br O4
• SMILES: Brc1ccc([C@H]2[C@]3(O[C@@](C2=C)(CCC3=O)C)C(=O)OC(C)(C)C)cc1
• Title of publication: Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.
• Authors of publication: Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 5374 - 5382
• a: 18.6107 ± 0.0004 Å
• b: 5.73338 ± 0.00013 Å
• c: 19.3766 ± 0.0004 Å
• α: 90°
• β: 113.408 ± 0.008°
• γ: 90°
• Cell volume: 1897.37 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No