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Information card for entry 1568355
Preview
Coordinates | 1568355.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H43 N5 O10 |
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Calculated formula | C58 H43 N5 O10 |
Title of publication | The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs. |
Authors of publication | Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 12 |
Pages of publication | 3147 - 3153 |
a | 8.7404 ± 0.0011 Å |
b | 9.8973 ± 0.0014 Å |
c | 15.641 ± 0.002 Å |
α | 100.242 ± 0.006° |
β | 95.44 ± 0.006° |
γ | 96.856 ± 0.007° |
Cell volume | 1312.6 ± 0.3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.2968 |
Residual factor for significantly intense reflections | 0.1396 |
Weighted residual factors for significantly intense reflections | 0.388 |
Weighted residual factors for all reflections included in the refinement | 0.4474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282302 (current) | 2023-04-04 | cif/ Updating files of 1568354, 1568355, 1568356, 1568357, 1568358 Original log message: Adding full bibliography for 1568354--1568358.cif. |
1568355.cif |
280679 | 2023-01-31 | cif/ Adding structures of 1568354, 1568355, 1568356, 1568357, 1568358 via cif-deposit CGI script. |
1568355.cif |
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Users of the data should acknowledge the original authors of the
structural data.