Information card for entry 7243567

Structure parameters

• Chemical name: α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol
• Formula: C37 H32 Cl2 O
• Calculated formula: C37 H32 Cl2 O
• Title of publication: Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures
• Authors of publication: Barton, Benita; Barnardo, Brandon; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 7278 - 7288
• a: 9.83 ± 0.003 Å
• b: 10.658 ± 0.003 Å
• c: 15.343 ± 0.004 Å
• α: 96.197 ± 0.01°
• β: 96.104 ± 0.011°
• γ: 105.604 ± 0.011°
• Cell volume: 1523.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No