Information card for entry 7121293

Structure parameters

• Formula: C20 H8 O6 Rb3
• Calculated formula: C20 H8 O6 Rb3
• SMILES: [C]1(C2C3C4=C([C]([O-])C=CC4=O)C(C=2C(=O)C=C1)C1=C3[C]([O-])C=CC1=O)[O-].[Rb+].[Rb+].[Rb+]
• Title of publication: An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone.
• Authors of publication: Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 3815 - 3818
• a: 11.6406 ± 0.0019 Å
• b: 11.6406 ± 0.0019 Å
• c: 8.6575 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1016 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No