Information card for entry 7125712

Structure parameters

• Formula: C56 H66 N2 O5
• Calculated formula: C56 H66 N2 O5
• 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: 9.8815 ± 0.0013 Å
• b: 13.0611 ± 0.0016 Å
• c: 19.081 ± 0.003 Å
• α: 80.647 ± 0.006°
• β: 83.99 ± 0.006°
• γ: 79.057 ± 0.006°
• Cell volume: 2378.8 ± 0.6 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: 0.0693
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No