Information card for entry 4502785

Structure parameters

• Common name: 1I, o-xylene
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, o-xylene
• Formula: C41 H43 I3 O3
• Calculated formula: C41 H43 I3 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: 10.0282 ± 0.0009 Å
• b: 13.4705 ± 0.0014 Å
• c: 16.0032 ± 0.0017 Å
• α: 67.312 ± 0.01°
• β: 83.012 ± 0.008°
• γ: 88.381 ± 0.008°
• Cell volume: 1979.3 ± 0.4 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: 0.1004
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No