Information card for entry 7128874

Structure parameters

• Formula: C40 H32
• Calculated formula: C40 H32
• SMILES: c12cc(/C=C/c3cc4ccc3CCc3ccc(cc3/C=C/c3cc5c(cc3)cccc5)CC4)ccc1cccc2
• 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: 8.389 ± 0.0002 Å
• b: 21.6023 ± 0.0006 Å
• c: 30.9026 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5600.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No