Information card for entry 4513665

Structure parameters

• Formula: C26 H16 N2 Se
• Calculated formula: C26 H16 N2 Se
• SMILES: [se]1nc2c(ccc(c3c4c(cccc4)ccc3)c2n1)c1c2ccccc2ccc1
• Title of publication: Effects of Donor and Acceptor Units Attached with Benzoselenadiazole: Optoelectronic and Self-Assembling Patterns
• Authors of publication: Mondal, Sahidul; Konda, Maruthi; Kauffmann, Brice; Manna, Manoj K.; Das, Apurba K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5548
• a: 7.57 ± 0.003 Å
• b: 11.473 ± 0.003 Å
• c: 13.139 ± 0.003 Å
• α: 64.605 ± 0.007°
• β: 79.964 ± 0.018°
• γ: 75.83 ± 0.02°
• Cell volume: 996.4 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No