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Information card for entry 1572142
Preview
Coordinates | 1572142.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H34 N2 O S |
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Calculated formula | C48 H34 N2 O S |
Title of publication | Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers. |
Authors of publication | Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 32 |
Pages of publication | 13001 - 13010 |
a | 14.3196 ± 0.0016 Å |
b | 17.8821 ± 0.0017 Å |
c | 14.0725 ± 0.0016 Å |
α | 90° |
β | 104.757 ± 0.012° |
γ | 90° |
Cell volume | 3484.6 ± 0.7 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1179 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1497 |
Weighted residual factors for all reflections included in the refinement | 0.1829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294462 (current) | 2024-09-06 | cif/ Updating files of 1572140, 1572141, 1572142 Original log message: Adding full bibliography for 1572140--1572142.cif. |
1572142.cif |
293448 | 2024-07-18 | cif/ Adding structures of 1572140, 1572141, 1572142 via cif-deposit CGI script. |
1572142.cif |
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Users of the data should acknowledge the original authors of the
structural data.