Information card for entry 4032513

Structure parameters

• Formula: C16 H20 O Si
• Calculated formula: C16 H20 O Si
• SMILES: [Si@@H](c1c(cccc1C)C)(C)c1ccccc1OC
• Title of publication: Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.
• Authors of publication: Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 6108 - 6117
• a: 7.85 ± 0.002 Å
• b: 9.9 ± 0.003 Å
• c: 18.766 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.4 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No