Information card for entry 4502789

Structure parameters

• Common name: 1I, pyridine
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, pyridine
• Formula: C38 H38 I3 N O3
• Calculated formula: C38 H38 I3 N 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: 9.9646 ± 0.0006 Å
• b: 13.3987 ± 0.0007 Å
• c: 14.6107 ± 0.0008 Å
• α: 90.411 ± 0.005°
• β: 107.322 ± 0.005°
• γ: 90.923 ± 0.005°
• Cell volume: 1861.85 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No