Information card for entry 7128871

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c12c(c3ccc1CCc1c4c5c6c(ccc5ccc4c(cc1)CC3)cccc6)ccc1c2c2ccccc2cc1
• 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: 11.0786 ± 0.0007 Å
• b: 15.0781 ± 0.0009 Å
• c: 15.4237 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2576.4 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1017
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No