Information card for entry 7229171

Structure parameters

• Common name: C18BiPhcage
• Chemical name: C18BiPhcage
• Formula: C66 H116 Si2
• Calculated formula: C66 H116 Si2
• SMILES: [Si]123c4ccc(cc4)c4ccc([Si](CCCCCCCCCCCCCCCCCC1)(CCCCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCCCC3)cc4
• Title of publication: A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence
• Authors of publication: Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 36.52 ± 0.03 Å
• b: 10.968 ± 0.009 Å
• c: 19.057 ± 0.016 Å
• α: 90°
• β: 120.161 ± 0.012°
• γ: 90°
• Cell volume: 6600 ± 9 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.3565
• Residual factor for significantly intense reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.3104
• Weighted residual factors for all reflections included in the refinement: 0.471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No