Information card for entry 4512793

Structure parameters

• Common name: 1-oc-1D-210K
• Chemical name: 1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol
• Formula: C44 H44 O6
• Calculated formula: C42.922 H42.768 O5.846
• 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: 10.0464 ± 0.0009 Å
• b: 10.3584 ± 0.0011 Å
• c: 10.8328 ± 0.0012 Å
• α: 112.492 ± 0.01°
• β: 117.244 ± 0.01°
• γ: 95.864 ± 0.008°
• Cell volume: 871.7 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No