Information card for entry 2225353

Structure parameters

• Chemical name: 9-Ethyl-3,6-bis(5-iodo-2-thienyl)-9<i>H</i>-carbazole
• Formula: C22 H15 I2 N S2
• Calculated formula: C22 H15 I2 N S2
• SMILES: Ic1sc(c2ccc3n(c4ccc(cc4c3c2)c2sc(I)cc2)CC)cc1
• Title of publication: 9-Ethyl-3,6-bis(5-iodo-2-thienyl)-9<i>H</i>-carbazole
• Authors of publication: Xu, Guo-Yi; Geng, Wen-Qian; Zhou, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o571
• a: 10.637 ± 0.003 Å
• b: 7.814 ± 0.002 Å
• c: 26.687 ± 0.007 Å
• α: 90°
• β: 107.313 ± 0.018°
• γ: 90°
• Cell volume: 2117.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes