Information card for entry 7125711

Structure parameters

• Formula: C77 H93 N3 O6
• Calculated formula: C77 H93 N3 O6
• Title of publication: Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.
• Authors of publication: Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 1105 - 1108
• a: 22.357 ± 0.003 Å
• b: 10.054 ± 0.0015 Å
• c: 28.899 ± 0.004 Å
• α: 90°
• β: 91.602 ± 0.008°
• γ: 90°
• Cell volume: 6493.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No