Information card for entry 4125044

Structure parameters

• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• Title of publication: End Groups of Functionalized Siloxane Oligomers Direct Block-Copolymeric or Liquid-Crystalline Self-Assembly Behavior.
• Authors of publication: Zha, R. Helen; de Waal, Bas F. M.; Lutz, Martin; Teunissen, Abraham J. P.; Meijer, E. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 17
• Pages of publication: 5693 - 5698
• a: 7.7614 ± 0.0004 Å
• b: 7.9275 ± 0.0004 Å
• c: 12.9954 ± 0.0006 Å
• α: 88.676 ± 0.002°
• β: 77.819 ± 0.002°
• γ: 80.925 ± 0.002°
• Cell volume: 771.76 ± 0.07 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: 0.0382
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No