Information card for entry 7219019

Structure parameters

• Chemical name: selenopyrrole
• Formula: C24 H27 N5 O2 Se2
• Calculated formula: C24 H27 N5 O2 Se2
• SMILES: C(CCCCC)n1nc2c3c([nH]c4c3[se]cc4)c3[nH]c4cc[se]c4c3c2n1.CC(=O)OCC
• Title of publication: Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization
• Authors of publication: Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 7.2332 ± 0.0003 Å
• b: 15.9927 ± 0.0006 Å
• c: 21.3756 ± 0.0008 Å
• α: 90°
• β: 95.932 ± 0.003°
• γ: 90°
• Cell volume: 2459.45 ± 0.17 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 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: 0.0439
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No