Information card for entry 7213363

Structure parameters

• Chemical name: Tetra(4-hydroxyphenyl)ethene acetylacetate water inclusion compound (7.E-W)
• Formula: C30 H30 O7
• Calculated formula: C30 H30 O7
• 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: 10.343 ± 0.004 Å
• b: 10.887 ± 0.005 Å
• c: 13.918 ± 0.006 Å
• α: 103.65 ± 0.04°
• β: 91.19 ± 0.03°
• γ: 117.64 ± 0.03°
• Cell volume: 1333.6 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No