Information card for entry 7110270

Structure parameters

• Formula: C48 H40
• Calculated formula: C48 H40
• Title of publication: Selective synthesis of [7]- and [8]cycloparaphenylenes
• Authors of publication: Friederike Sibbel; Katsuma Matsui; Yasutomo Segawa; Armido Studer; Kenichiro Itami
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 954
• a: 18.34 ± 0.007 Å
• b: 22.335 ± 0.008 Å
• c: 8.218 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No