Information card for entry 4502815

Structure parameters

• Common name: 1Cl, toluene
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, tolene
• Formula: C40 H40 Cl3 O3
• Calculated formula: C40 H40 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: 10.472 ± 0.006 Å
• b: 14.437 ± 0.005 Å
• c: 15.721 ± 0.006 Å
• α: 106.41 ± 0.03°
• β: 108.55 ± 0.04°
• γ: 99.14 ± 0.04°
• Cell volume: 2079.1 ± 1.8 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: 0.1552
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2934
• Weighted residual factors for all reflections included in the refinement: 0.3471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No