Information card for entry 7242953

Structure parameters

• Chemical name: trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid
• Formula: C22 H19 O4
• Calculated formula: C22 H19 O4
• Title of publication: Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests
• Authors of publication: Barton, Benita; Senekal, Ulrich; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 4560 - 4572
• a: 8.9676 ± 0.0005 Å
• b: 8.9772 ± 0.0004 Å
• c: 11.5304 ± 0.0006 Å
• α: 76.582 ± 0.002°
• β: 77.282 ± 0.002°
• γ: 85.623 ± 0.002°
• Cell volume: 880.44 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No