Information card for entry 4515952

Structure parameters

• Formula: C27 H39 N O3 Si5
• Calculated formula: C27 H39 N O3 Si5
• SMILES: [Si]12([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)Oc3ccccc3N(c3c(O1)cccc3)c1c(O2)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: 60.459 ± 0.013 Å
• b: 12.913 ± 0.003 Å
• c: 16.786 ± 0.004 Å
• α: 90°
• β: 100.08 ± 0.006°
• γ: 90°
• Cell volume: 12903 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No