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Information card for entry 1571707
Preview
Coordinates | 1571707.cif |
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Original paper (by DOI) | HTML |
Formula | C66.5 H58 D12 S |
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Calculated formula | C66.5 H58 D12 S |
Title of publication | Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions |
Authors of publication | Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin |
Journal of publication | Chemical Science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 26 |
Pages of publication | 10101 - 10109 |
a | 9.2015 ± 0.0019 Å |
b | 15.281 ± 0.004 Å |
c | 20.007 ± 0.003 Å |
α | 104.66 ± 0.02° |
β | 97.26 ± 0.02° |
γ | 102.4 ± 0.02° |
Cell volume | 2609 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0666 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1654 |
Weighted residual factors for all reflections included in the refinement | 0.1725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
292880 (current) | 2024-07-05 | cif/ Updating files of 1571707, 1571708, 1571709 Original log message: Adding full bibliography for 1571707--1571709.cif. |
1571707.cif |
292038 | 2024-05-26 | cif/ Adding structures of 1571707, 1571708, 1571709 via cif-deposit CGI script. |
1571707.cif |
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Users of the data should acknowledge the original authors of the
structural data.