Information card for entry 7237903

Structure parameters

• Formula: C25 H30 N4 O6
• Calculated formula: C25 H30 N4 O6
• Title of publication: Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding
• Authors of publication: Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 28
• Pages of publication: 8643
• a: 7.8653 ± 0.0002 Å
• b: 10.1875 ± 0.0003 Å
• c: 15.2306 ± 0.0004 Å
• α: 77.871 ± 0.002°
• β: 89.802 ± 0.002°
• γ: 87.62 ± 0.002°
• Cell volume: 1192.1 ± 0.06 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: 0.0815
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No