Information card for entry 7229169

Structure parameters

• Common name: C18BiPhcage
• Chemical name: C18BiPhcage
• Formula: C66 H116 Si2
• Calculated formula: C66 H114 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: 36.88 ± 0.03 Å
• b: 11.065 ± 0.008 Å
• c: 19.195 ± 0.013 Å
• α: 90°
• β: 121.141 ± 0.008°
• γ: 90°
• Cell volume: 6704 ± 9 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 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: 0.3692
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3138
• Weighted residual factors for all reflections included in the refinement: 0.4925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No