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Information card for entry 7240218
Preview
Coordinates | 7240218.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H40 O2 S6 |
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Calculated formula | C42 H40 O2 S6 |
Title of publication | New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials |
Authors of publication | Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing |
Journal of publication | RSC Advances |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 21 |
Pages of publication | 12378 - 12383 |
a | 8.16 ± 0.0003 Å |
b | 8.4682 ± 0.0004 Å |
c | 13.9854 ± 0.0005 Å |
α | 87.738 ± 0.003° |
β | 87.241 ± 0.003° |
γ | 71.942 ± 0.004° |
Cell volume | 917.42 ± 0.07 Å3 |
Cell temperature | 170 ± 0.12 K |
Ambient diffraction temperature | 170 ± 0.12 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 | 0.0992 |
Residual factor for significantly intense reflections | 0.0897 |
Weighted residual factors for significantly intense reflections | 0.2433 |
Weighted residual factors for all reflections included in the refinement | 0.2565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
258115 (current) | 2020-10-06 | cif/ Updating files of 7240217, 7240218 Original log message: Adding full bibliography for 7240217--7240218.cif. |
7240218.cif |
249782 | 2020-03-27 | cif/ Adding structures of 7240217, 7240218 via cif-deposit CGI script. |
7240218.cif |
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Users of the data should acknowledge the original authors of the
structural data.