Information card for entry 7128496

Structure parameters

• Formula: C48 H42 N2 O2 Si
• Calculated formula: C48 H42 N2 O2 Si
• SMILES: [Si]1(c2ccc(N(C)C)cc2c2c(c3cc(N(C)C)ccc13)cc1c(c2)c2cc(OC)ccc2c2ccc(OC)cc12)(c1ccccc1)c1ccccc1
• Title of publication: Facile synthesis of tribenzosilepins from terphenyls and dihydrosilanes by electrophilic double silylation.
• Authors of publication: Dong, Yafang; Sekine, Kohei; Kuninobu, Yoichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 57
• Pages of publication: 7007 - 7010
• a: 9.192 ± 0.0003 Å
• b: 20.3292 ± 0.0006 Å
• c: 20.1781 ± 0.0005 Å
• α: 90°
• β: 90.337 ± 0.002°
• γ: 90°
• Cell volume: 3770.54 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No