Information card for entry 7035425

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 tetrahydrofuran 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 tetrahydrofuran adduct
• Formula: C52 H62 O6 Si2
• Calculated formula: C52 H62 O6 Si2
• SMILES: O([Si](O)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Si](O)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• 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: 10.69 ± 0.0004 Å
• b: 10.9103 ± 0.0004 Å
• c: 21.4916 ± 0.0007 Å
• α: 91.6194 ± 0.0015°
• β: 101.238 ± 0.0015°
• γ: 113.362 ± 0.0013°
• Cell volume: 2241.41 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No