Information card for entry 4515949

Structure parameters

• Formula: C27 H34 Cl N O3
• Calculated formula: C27 H34 Cl N O3
• SMILES: [Cl-].[NH+](Cc1cc(cc(C)c1O)C)(Cc1c(O)c(cc(c1)C)C)Cc1cc(cc(c1O)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: 25.666 ± 0.004 Å
• b: 46.332 ± 0.007 Å
• c: 8.4689 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10071 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No