Information card for entry 4502817

Structure parameters

• Common name: 1Cl, EtOAc
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, ethyl acetate
• Formula: C37 H41 Cl3 O5
• Calculated formula: C33 H33 Cl3 O3
• 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: 9.7072 ± 0.0008 Å
• b: 13.4028 ± 0.0009 Å
• c: 14.6608 ± 0.0014 Å
• α: 110.951 ± 0.007°
• β: 91.936 ± 0.007°
• γ: 90.081 ± 0.006°
• Cell volume: 1780.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No