Information card for entry 7711514

Structure parameters

• Formula: C36 H56 Li2 O5 Si
• Calculated formula: C36 H56 Li2 O5 Si
• SMILES: [Si]1(c2ccccc2[CH]23=[CH]4([c]5(ccccc15)[Li]34([O]1CCCC1)[O]1CCCC1)[Li]2([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(C)C
• Title of publication: Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity
• Authors of publication: Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.332 ± 0.003 Å
• b: 10.61 ± 0.003 Å
• c: 17.742 ± 0.005 Å
• α: 90°
• β: 95.085 ± 0.005°
• γ: 90°
• Cell volume: 1749.8 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No