Information card for entry 7128872

Structure parameters

• Formula: C32 H24
• Calculated formula: C32 H24
• SMILES: c1c2c3c(c(c1)CCc1ccc(c4c5ccccc5ccc14)CC2)ccc1c3cccc1
• 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: 8.2667 ± 0.0012 Å
• b: 12.9527 ± 0.0018 Å
• c: 9.9631 ± 0.0016 Å
• α: 90°
• β: 102.109 ± 0.015°
• γ: 90°
• Cell volume: 1043.1 ± 0.3 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: 0.1535
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No