Information card for entry 7129100

Structure parameters

• Formula: C26 H22 Si
• Calculated formula: C26 H22 Si
• SMILES: [Si]1(c2c(CCc3c1cccc3)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion.
• Authors of publication: Ito, Shotaro; Ishii, Youichi; Ishimura, Kazuya; Kuwabara, Takuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 86
• Pages of publication: 11330 - 11333
• a: 8.9514 ± 0.0018 Å
• b: 19.204 ± 0.004 Å
• c: 11.397 ± 0.002 Å
• α: 90°
• β: 98.546 ± 0.004°
• γ: 90°
• Cell volume: 1937.4 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No