Information card for entry 4507194

Structure parameters

• Common name: 1H-DXN
• Chemical name: 2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , dioxane
• Formula: C39 H48 O6
• Calculated formula: C39 H48 O6
• 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: 13.5252 ± 0.0006 Å
• b: 9.1498 ± 0.0004 Å
• c: 27.7088 ± 0.0014 Å
• α: 90°
• β: 102.48 ± 0.005°
• γ: 90°
• Cell volume: 3348 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No