Information card for entry 1566702

Structure parameters

• Formula: C38 H24 N O2 P
• Calculated formula: C38 H24 N O2 P
• SMILES: P1(Oc2c3c(c4ccccc4c4c(c5c3c(O1)ccc5)cccc4)ccc2)N1c2ccccc2C=Cc2c1cccc2
• Title of publication: Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis
• Authors of publication: Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.8935 ± 0.0006 Å
• b: 12.6595 ± 0.0006 Å
• c: 18.8734 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2841.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No