Information card for entry 7035426

Structure parameters

• Common name: 1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct
• Chemical name: 1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct
• Formula: C51 H61 N O6 Si2
• Calculated formula: C51 H61 N O6 Si2
• SMILES: [Si](O[Si](O)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O=CN(C)C
• Title of publication: Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.
• Authors of publication: Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12818 - 12823
• a: 11.0238 ± 0.0006 Å
• b: 11.3839 ± 0.0006 Å
• c: 11.6765 ± 0.0006 Å
• α: 61.913 ± 0.002°
• β: 66.372 ± 0.002°
• γ: 65.614 ± 0.002°
• Cell volume: 1137.92 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No