Information card for entry 2023402

Structure parameters

• Chemical name: 1,1',1''-[(2-Iodoethoxy)methanetriyl]tribenzene
• Formula: C21 H19 I O
• Calculated formula: C21 H19 I O
• Title of publication: Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.
• Authors of publication: Fischer, Julian; Hebenbrock, Marian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 214 - 218
• a: 19.35 ± 0.0006 Å
• b: 10.5936 ± 0.0003 Å
• c: 17.5475 ± 0.0006 Å
• α: 90°
• β: 105.945 ± 0.001°
• γ: 90°
• Cell volume: 3458.6 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No