Information card for entry 2228844

Structure parameters

• Chemical name: 2'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-decamethyl-1,1':3',1''-terphenyl chloroform monosolvate
• Formula: C29 H34 Cl3 I
• Calculated formula: C29 H34 Cl3 I
• SMILES: c1(c(cccc1c1c(c(c(c(c1C)C)C)C)C)c1c(c(c(c(c1C)C)C)C)C)I.C(Cl)(Cl)Cl
• Title of publication: 2'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-decamethyl-1,1':3',1''-terphenyl chloroform monosolvate
• Authors of publication: Olaru, Marian; Roşca, Sorin; Raţ, Ciprian I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o213
• a: 12.0294 ± 0.001 Å
• b: 16.0651 ± 0.0013 Å
• c: 15.3762 ± 0.0012 Å
• α: 90°
• β: 103.385 ± 0.001°
• γ: 90°
• Cell volume: 2890.8 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes