Information card for entry 7107242

Structure parameters

• Formula: C52 H44 O4 Si2
• Calculated formula: C52 H44 O4 Si2
• SMILES: [Si]1(c2c(c3c(c4c(c5c3c3c([Si](c6c3cccc6)(C)C)c(c5C(=O)OCC)c3ccccc3)cccc4)c(c2c2ccccc2)C(=O)OCC)c2c1cccc2)(C)C
• Title of publication: Highly enantioselective synthesis of silahelicenes using Ir-catalyzed [2+2+2] cycloaddition
• Authors of publication: Takanori Shibata; Toshifumi Uchiyama; Yusuke Yoshinami; Satoshi Takayasu; Kyoji Tsuchikama; Kohei Endo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1311
• a: 10.7414 ± 0.0012 Å
• b: 12.1903 ± 0.0012 Å
• c: 32.074 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4199.8 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No