Information card for entry 4507198

Structure parameters

• Common name: 1H-THF(1)
• Chemical name: 2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran
• Formula: C70 H80 O7
• Calculated formula: C70 H80 O7
• 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: 11.916 ± 0.0006 Å
• b: 13.9655 ± 0.0008 Å
• c: 20.9031 ± 0.001 Å
• α: 100.499 ± 0.004°
• β: 97.836 ± 0.004°
• γ: 115.047 ± 0.005°
• Cell volume: 3008.4 ± 0.3 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: 0.2335
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No