Information card for entry 4512795

Structure parameters

• Common name: 1-oc-1D-298K
• Chemical name: 1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol
• Formula: C44 H44 O6
• Calculated formula: C41.172 H40.768 O5.596
• Title of publication: Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host
• Authors of publication: Saraswatula, Viswanadha G.; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 593
• a: 10.04 ± 0.0008 Å
• b: 10.4946 ± 0.0011 Å
• c: 10.819 ± 0.001 Å
• α: 112.488 ± 0.01°
• β: 116.969 ± 0.009°
• γ: 96.574 ± 0.008°
• Cell volume: 879.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1254
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No