Information card for entry 7130928

Structure parameters

• Formula: C48 H24 O3
• Calculated formula: C48 H24 O3
• SMILES: o1c2ccccc2c2c1c1ccccc1c1c2c2c3ccccc3c3oc4c(c3c2c2c1c1c(oc3ccccc13)c1ccccc21)cccc4
• Title of publication: A C3-Symmetric Triple Oxa[6]helicene with Circularly Polarized Luminescence Featuring Parallel Transition Dipole Moments
• Authors of publication: Liu, Jun; Jiang, Lihui; Chang, Hao; Liu, Haoliang; Cao, Xiaoyu; Zou, Yingping; Hu, Yunbin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 21.582 ± 0.012 Å
• b: 28.06 ± 0.02 Å
• c: 11.83 ± 0.008 Å
• α: 90°
• β: 120.061 ± 0.012°
• γ: 90°
• Cell volume: 6201 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No