Information card for entry 2103246

Structure parameters

• Common name: DHPC.26X
• Chemical name: 1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,6-xylidine
• Formula: C26 H31 N O2
• Calculated formula: C26.035 H31 N O2
• SMILES: Cc1cccc(c1N)C.Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O
• 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: 6.234 ± 0.001 Å
• b: 10.934 ± 0.002 Å
• c: 16.974 ± 0.002 Å
• α: 84.98 ± 0.01°
• β: 81.29 ± 0.02°
• γ: 77.1 ± 0.02°
• Cell volume: 1113.1 ± 0.3 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No