Information card for entry 4515950

Structure parameters

• Formula: C18 H12 Cl N O3 Si
• Calculated formula: C18 H12 Cl N O3 Si
• SMILES: [Si]123(Cl)[N](c4c(O1)cccc4)(c1c(O2)cccc1)c1c(O3)cccc1
• 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: 9.2802 ± 0.0014 Å
• b: 14.072 ± 0.002 Å
• c: 11.6193 ± 0.0018 Å
• α: 90°
• β: 90.084 ± 0.002°
• γ: 90°
• Cell volume: 1517.4 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No