Information card for entry 2243936

Structure parameters

• Chemical name: (8<i>E</i>,22<i>E</i>)-4,4,12,18,18,26-Hexamethyl-3,5,17,19-tetraoxa-8,13,22,27-tetraaza-4,18-disilatricyclo[22.4.0.0^10,15^]octacosa-1(24),8,10,12,14,22,25,27-octaene-11,25-diol
• Formula: C24 H36 N4 O6 Si2
• Calculated formula: C24 H36 N4 O6 Si2
• SMILES: C[Si]1(C)OCc2c(c(c(C)nc2)O)/C=N/CCO[Si](OCc2c(c(c(C)nc2)O)/C=N/CCO1)(C)C
• Title of publication: Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand
• Authors of publication: Böhme, Uwe; Schwarzer, Anke; Günther, Betty
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• a: 12.9641 ± 0.0008 Å
• b: 16.8966 ± 0.0007 Å
• c: 13.1085 ± 0.0008 Å
• α: 90°
• β: 101.198 ± 0.005°
• γ: 90°
• Cell volume: 2816.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes