Information card for entry 1502770

Structure parameters

• Formula: C23 H17 I2 N O2 S2
• Calculated formula: C23 H17 I2 N O2 S2
• SMILES: s1c(I)cc2c1c1cc(c(cc1c1sc(cc1N2c1ccc(cc1)C)I)OC)OC
• Title of publication: Conducting Thiophene-Annulated Azepine Polymers
• Authors of publication: Song, Changsik; Walker, D. Barney; Swager, Timothy M.
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 5233
• a: 8.628 ± 0.0003 Å
• b: 14.8751 ± 0.0005 Å
• c: 17.4444 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2238.86 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No