Information card for entry 7246368

Structure parameters

• Chemical name: trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol
• Formula: C48 H37 Cl4 N O2
• Calculated formula: C48 H37 Cl4 N O2
• Title of publication: Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines
• Authors of publication: Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1740 - 1754
• a: 15.7544 ± 0.0007 Å
• b: 25.0313 ± 0.0011 Å
• c: 40.1189 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15821 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No