Information card for entry 7128870

Structure parameters

• Formula: C32 H28
• Calculated formula: C32 H28
• SMILES: c12ccc(cc1/C=C/c1ccccc1)CCc1cc(c(cc1)CC2)/C=C/c1ccccc1
• Title of publication: Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.
• Authors of publication: Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9256 - 9259
• a: 14.7972 ± 0.0006 Å
• b: 8.0733 ± 0.0003 Å
• c: 18.9373 ± 0.0007 Å
• α: 90°
• β: 96.319 ± 0.004°
• γ: 90°
• Cell volume: 2248.55 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No