Information card for entry 7120394

Structure parameters

• Formula: C44 H28 N4
• Calculated formula: C44 H28 N4
• SMILES: n1c(cccc1)C#Cc1cc2c(cc1CCc1cc(c(cc1C#Cc1ncccc1)CC2)C#Cc1ncccc1)C#Cc1ncccc1
• Title of publication: A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane
• Authors of publication: Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.6882 ± 0.0006 Å
• b: 13.1119 ± 0.0009 Å
• c: 13.3082 ± 0.0008 Å
• α: 108.885 ± 0.008°
• β: 94.201 ± 0.007°
• γ: 99.04 ± 0.007°
• Cell volume: 1565.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No