Information card for entry 7213362

Structure parameters

• Chemical name: Tetra-(4-fluorophenyl)ethene xylene inclusion compound (4.pXy)
• Formula: C38 H31 F4
• Calculated formula: C38 H31 F4
• Title of publication: Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds
• Authors of publication: Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 2115
• a: 9.175 ± 0.005 Å
• b: 9.522 ± 0.002 Å
• c: 17.79 ± 0.004 Å
• α: 91.15 ± 0.02°
• β: 97.65 ± 0.03°
• γ: 104.15 ± 0.02°
• Cell volume: 1491.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No