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Information card for entry 1571921
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Coordinates | 1571921.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H34 Cl2 N4 O |
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Calculated formula | C47 H34 Cl2 N4 O |
Title of publication | Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture. |
Authors of publication | Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 29 |
Pages of publication | 11408 - 11417 |
a | 12.9051 ± 0.0005 Å |
b | 10.5743 ± 0.0005 Å |
c | 25.9985 ± 0.0013 Å |
α | 90° |
β | 95.55 ± 0.002° |
γ | 90° |
Cell volume | 3531.2 ± 0.3 Å3 |
Cell temperature | 102 K |
Ambient diffraction temperature | 102 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1055 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1392 |
Weighted residual factors for all reflections included in the refinement | 0.1632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
293735 (current) | 2024-08-05 | cif/ Updating files of 1571920, 1571921, 1571922 Original log message: Adding full bibliography for 1571920--1571922.cif. |
1571921.cif |
292431 | 2024-06-18 | cif/ Adding structures of 1571920, 1571921, 1571922 via cif-deposit CGI script. |
1571921.cif |
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Users of the data should acknowledge the original authors of the
structural data.