Information card for entry 2103251

Structure parameters

• Common name: DHPC.2(23X)
• Chemical name: 1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,3-xylidine
• Formula: C34 H42 N2 O2
• Calculated formula: C34 H42 N2 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: 6.3593 ± 0.0003 Å
• b: 10.8368 ± 0.0005 Å
• c: 21.7366 ± 0.0011 Å
• α: 93.429 ± 0.003°
• β: 91.1 ± 0.003°
• γ: 106.912 ± 0.003°
• Cell volume: 1429.57 ± 0.12 ų
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No