Information card for entry 2013732

Structure parameters

• Chemical name: 2,5-diphenylhydroquinone‒1,3-diphenyl-2-propen-1-one (1/2)
• Formula: C48 H38 O4
• Calculated formula: C48 H38 O4
• SMILES: O=C(c1ccccc1)/C=C/c1ccccc1.O=C(c1ccccc1)/C=C/c1ccccc1.Oc1cc(c2ccccc2)c(cc1c1ccccc1)O
• Title of publication: Inclusion compounds of 2,5-diphenylhydroquinone
• Authors of publication: Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o50 - o53
• a: 9.413 ± 0.002 Å
• b: 10.042 ± 0.002 Å
• c: 11.848 ± 0.002 Å
• α: 65.74 ± 0.02°
• β: 81.57 ± 0.02°
• γ: 62.81 ± 0.02°
• Cell volume: 907 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1132
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes