Information card for entry 7130560

Structure parameters

• Formula: C48 H34 O2
• Calculated formula: C48 H34 O2
• SMILES: O1c2ccc3c(c2c2c4c(cccc4)ccc2OCc2ccccc2/C(=C(/c2c(cccc2)C1)c1ccccc1)c1ccccc1)cccc3
• Title of publication: Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence
• Authors of publication: Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 28.682 ± 0.002 Å
• b: 11.1603 ± 0.0009 Å
• c: 27.232 ± 0.003 Å
• α: 90°
• β: 112.691 ± 0.003°
• γ: 90°
• Cell volume: 8042.3 ± 1.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No