Information card for entry 7056574

Structure parameters

• Chemical name: SbdSeS
• Formula: C22 H22 N4 S2 Se
• Calculated formula: C22 H22 N4 S2 Se
• SMILES: [Se]1=Nc2c3c4sccc4n(c3c3n(c4c(scc4)c3c2N=1)CCCC)CCCC
• Title of publication: Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization
• Authors of publication: Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 11568 - 11575
• a: 24.0368 ± 0.0011 Å
• b: 7.8856 ± 0.0003 Å
• c: 24.6824 ± 0.0011 Å
• α: 90°
• β: 118.162 ± 0.006°
• γ: 90°
• Cell volume: 4124.6 ± 0.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.035303
• Residual factor for significantly intense reflections: 0.031109
• Weighted residual factors for all reflections included in the refinement: 0.116105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.950288
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No