Information card for entry 7245380

Structure parameters

• Formula: C58 H108 Si10
• Calculated formula: C58 H108 Si10
• Title of publication: Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues
• Authors of publication: Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 18.1857 ± 0.0003 Å
• b: 30.4174 ± 0.0005 Å
• c: 12.6976 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7023.8 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 3.178
• Diffraction radiation wavelength: 0.30241 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No