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Information card for entry 7247496
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Coordinates | 7247496.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H12 N2 S |
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Calculated formula | C20 H12 N2 S |
Title of publication | Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. |
Authors of publication | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 42 |
Pages of publication | 29327 - 29340 |
a | 11.3392 ± 0.0006 Å |
b | 5.6836 ± 0.0002 Å |
c | 24.2274 ± 0.0011 Å |
α | 90° |
β | 93.381 ± 0.002° |
γ | 90° |
Cell volume | 1558.68 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0689 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1226 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7247496.html
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