Information card for entry 4512805

Structure parameters

• Common name: 1-gf-226K
• Chemical name: 1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane
• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• SMILES: Oc1ccc(C2(CCC(CC2)(c2ccc(cc2)O)c2ccc(O)cc2)c2ccc(cc2)O)cc1
• 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: 7.4368 ± 0.0005 Å
• b: 9.1491 ± 0.0007 Å
• c: 9.7361 ± 0.0008 Å
• α: 65.702 ± 0.008°
• β: 80.946 ± 0.006°
• γ: 87.395 ± 0.006°
• Cell volume: 596.1 ± 0.09 ų
• Cell temperature: 226 ± 2 K
• Ambient diffraction temperature: 226 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No