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Information card for entry 1571438
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Coordinates | 1571438.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1 |
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Formula | C22 H35 B21 |
Calculated formula | C22 H35 B21 |
Title of publication | Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation. |
Authors of publication | Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 20 |
Pages of publication | 7568 - 7575 |
a | 10.7014 ± 0.0007 Å |
b | 11.5495 ± 0.0006 Å |
c | 14.4626 ± 0.0009 Å |
α | 96.02 ± 0.002° |
β | 109.788 ± 0.002° |
γ | 111.822 ± 0.002° |
Cell volume | 1505.99 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/1571438.html
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Users of the data should acknowledge the original authors of the
structural data.