Information card for entry 1551208

Structure parameters

• Common name: TMS2MeCarba
• Chemical name: TMS2MeCarba
• Formula: C19 H27 N Si2
• Calculated formula: C19 H27 N Si2
• SMILES: [Si](c1ccc2c(n(c3c2ccc([Si](C)(C)C)c3)C)c1)(C)(C)C
• Title of publication: Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
• Authors of publication: Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 3910
• a: 15.104 ± 0.007 Å
• b: 6.317 ± 0.004 Å
• c: 20.8662 ± 0.001 Å
• α: 90°
• β: 96.345 ± 0.011°
• γ: 90°
• Cell volume: 1978.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No