Information card for entry 4135428

Structure parameters

• Formula: C37 H26 N2 O2
• Calculated formula: C37 H26 N2 O2
• SMILES: O1c2c(C(c3c1cc(cc3)c1ccncc1)=C1[C@@H](COc3ccc4ccccc4c13)C)ccc(c2)c1ccncc1
• Title of publication: Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles
• Authors of publication: Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.2586 ± 0.0002 Å
• b: 14.8057 ± 0.0004 Å
• c: 25.2215 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2710.52 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.98 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No