Information card for entry 7051646

Structure parameters

• Formula: C20 H30 N4 O2 Si
• Calculated formula: C20 H30 N4 O2 Si
• Title of publication: Reversible constitutional switching between macrocycles and polymers induced by shape change in a dynamic covalent system
• Authors of publication: Ulrich, Sébastien; Buhler, Eric; Lehn, Jean-Marie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 271
• a: 7.2195 ± 0.0004 Å
• b: 11.2353 ± 0.0004 Å
• c: 13.58 ± 0.0006 Å
• α: 92.83 ± 0.003°
• β: 102.655 ± 0.002°
• γ: 92.846 ± 0.003°
• Cell volume: 1071.38 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No