Information card for entry 7237905

Structure parameters

• Formula: C58 H70 N10 O7
• Calculated formula: C58 H70 N10 O7
• 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: 13.6197 ± 0.0004 Å
• b: 14.7142 ± 0.0005 Å
• c: 16.3128 ± 0.0005 Å
• α: 100.607 ± 0.0012°
• β: 108.11 ± 0.0011°
• γ: 111.409 ± 0.0011°
• Cell volume: 2724.37 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No