Information card for entry 7229170

Structure parameters

• Common name: C18satBiphCage
• Chemical name: C18satBiphCage
• Formula: C66 H116 Si2
• Calculated formula: C66 H116 Si2
• 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: 35.097 ± 0.003 Å
• b: 11.4728 ± 0.001 Å
• c: 16.9361 ± 0.0014 Å
• α: 90°
• β: 110.809 ± 0.001°
• γ: 90°
• Cell volume: 6374.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No