Information card for entry 1519406

Structure parameters

• Formula: C35 H38 B F4 N3 O Si
• Calculated formula: C35 H38 B F4 N3 O Si
• SMILES: [Si](OC([C@H]1[n+]2c(nn(c2)c2c(cc(cc2C)C)C)c2ccccc2C1)(c1ccccc1)c1ccccc1)(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine
• Authors of publication: Li, Guo-Tai; Gu, Qing; You, Shu-Li
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4273
• a: 11.541 ± 0.0007 Å
• b: 11.541 ± 0.0007 Å
• c: 52.812 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6091.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No