Information card for entry 7130561

Structure parameters

• Formula: C48 H34 O2
• Calculated formula: C48 H34 O2
• SMILES: O1c2c(c3ccccc3cc2)c2c3ccccc3ccc2OCc2c(/C(=C(/c3ccccc3)c3c(C1)cccc3)c1ccccc1)cccc2
• 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: 10.2979 ± 0.0005 Å
• b: 17.4037 ± 0.001 Å
• c: 17.5627 ± 0.0009 Å
• α: 69.825 ± 0.002°
• β: 80.955 ± 0.002°
• γ: 81.076 ± 0.002°
• Cell volume: 2900.4 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.3006
• Weighted residual factors for all reflections included in the refinement: 0.3364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No