Information card for entry 4502816

Structure parameters

• Common name: 1Cl, dioxane
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, dioxane
• Formula: C35 H37 Cl3 O4
• Calculated formula: C35 H37 Cl3 O4
• Title of publication: Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 169
• a: 10.1834 ± 0.0003 Å
• b: 13.561 ± 0.0004 Å
• c: 23.4243 ± 0.0007 Å
• α: 90°
• β: 91.118 ± 0.003°
• γ: 90°
• Cell volume: 3234.21 ± 0.17 ų
• Cell temperature: 199.2 K
• Ambient diffraction temperature: 199.2 K
• Number of distinct elements: 4
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No