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Information card for entry 4513666
Preview
Coordinates | 4513666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H16 N2 O2 Se |
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Calculated formula | C20 H16 N2 O2 Se |
SMILES | [se]1nc2c(n1)c(c1ccc(OC)cc1)ccc2c1ccc(OC)cc1 |
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 | 13.979 ± 0.002 Å |
b | 7.2774 ± 0.0013 Å |
c | 32.707 ± 0.006 Å |
α | 90° |
β | 99.187 ± 0.005° |
γ | 90° |
Cell volume | 3284.6 ± 1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4513666.html
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Users of the data should acknowledge the original authors of the
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