Information card for entry 4507199

Structure parameters

• Common name: 1H-THF(2)
• Chemical name: 2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran(2)
• Formula: C37 H44 O4
• Calculated formula: C35 H40 O3.5
• Title of publication: Polymorphism through Desolvation of the Solvates of a van der Waals Host
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 606
• a: 13.5713 ± 0.0012 Å
• b: 10.3703 ± 0.0009 Å
• c: 22.865 ± 0.002 Å
• α: 90°
• β: 92.697 ± 0.008°
• γ: 90°
• Cell volume: 3214.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.3321
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No