Information card for entry 4038632

Structure parameters

• Formula: C44 H32 O2
• Calculated formula: C44 H32 O2
• Title of publication: Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.
• Authors of publication: Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 14.1264 ± 0.0003 Å
• b: 11.2302 ± 0.0003 Å
• c: 20.1932 ± 0.0005 Å
• α: 90°
• β: 108.151 ± 0.001°
• γ: 90°
• Cell volume: 3044.09 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No