Information card for entry 7246366

Structure parameters

• Chemical name: trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol
• Formula: C102 H89 N3 O4
• Calculated formula: C102 H89 N3 O4
• 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: 22.263 ± 0.002 Å
• b: 9.8738 ± 0.0009 Å
• c: 35.777 ± 0.004 Å
• α: 90°
• β: 93.222 ± 0.006°
• γ: 90°
• Cell volume: 7852.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No