Information card for entry 4515951

Structure parameters

• Formula: C54 H60 N2 O7 Si2
• Calculated formula: C54 H60 N2 O7 Si2
• SMILES: c12c(cc(cc2CN2Cc3c(c(cc(c3)C)C)O[Si](O[Si]34Oc5c(cc(cc5CN(Cc5c(c(cc(c5)C)C)O3)Cc3c(c(cc(c3)C)C)O4)C)C)(O1)Oc1c(cc(cc1C2)C)C)C)C
• Title of publication: Hypercoordinated Oligosilanes Based on Aminotrisphenols.
• Authors of publication: Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 10317 - 10330
• a: 14.414 ± 0.002 Å
• b: 14.414 ± 0.002 Å
• c: 24.558 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4418.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No