Information card for entry 2103250

Structure parameters

• Common name: DHPC.0.5(23X)
• Chemical name: 1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,3-xylidine
• Formula: C22 H25.5 N0.5 O2
• Calculated formula: C22 H25.5 N0.5 O2
• Title of publication: Inclusion compounds of a diol host with xylidines: controlled stoichiometries
• Authors of publication: Nassimbeni, Luigi R.; Su, Hong
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 251 - 259
• a: 18.1704 ± 0.001 Å
• b: 12.2744 ± 0.001 Å
• c: 16.2036 ± 0.001 Å
• α: 90°
• β: 95.3 ± 0.03°
• γ: 90°
• Cell volume: 3598.5 ± 0.5 ų
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No