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Information card for entry 4108462
Preview
Coordinates | 4108462.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 B N2 O2 |
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Calculated formula | C30 H24 B N2 O2 |
SMILES | [B]12(Oc3ccc4cccc5ccc(c3c45)=[N]1CC)Oc1ccc3cccc4ccc(c1c34)=[N]2CC |
Title of publication | Localization of Spin and Charge in Phenalenyl-Based Neutral Radical Conductors |
Authors of publication | Robert C. Haddon; Arindam Sarkar; Sushanta K. Pal; Xiaoliu Chi; Mikhail E. Itkis; Fook S. Tham |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13683 - 13690 |
a | 9.017 ± 0.0003 Å |
b | 13.5775 ± 0.0004 Å |
c | 17.8629 ± 0.0006 Å |
α | 90° |
β | 90.7025 ± 0.0005° |
γ | 90° |
Cell volume | 2186.76 ± 0.12 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108462.html
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Users of the data should acknowledge the original authors of the
structural data.