Information card for entry 2103247

Structure parameters

• Common name: DHPC.26X
• Chemical name: 1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,6-xylidine
• Formula: C30 H36.5 N1.5 O2
• Calculated formula: C30 H31 N1.5 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: 7.8594 ± 0.0003 Å
• b: 10.015 ± 0.001 Å
• c: 17.169 ± 0.001 Å
• α: 78.909 ± 0.002°
• β: 85.161 ± 0.001°
• γ: 71.238 ± 0.001°
• Cell volume: 1255.33 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No