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Information card for entry 7040769
Preview
Coordinates | 7040769.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H32 B N |
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Calculated formula | C33 H32 B N |
SMILES | n1(cc2c3c1cccc3c1c3B2c2c4c(c3ccc1C)cccc4ccc2)CCCCCCCC |
Title of publication | Inter- and intra-molecular C-H borylation for the formation of PAHs containing triarylborane and indole units. |
Authors of publication | Escande, A.; Crossley, D. L.; Cid, J.; Cade, I. A.; Vitorica-Yrezabal, I; Ingleson, M. J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17160 - 17167 |
a | 7.8135 ± 0.001 Å |
b | 12.3648 ± 0.0019 Å |
c | 12.4862 ± 0.0016 Å |
α | 100.198 ± 0.012° |
β | 93.594 ± 0.01° |
γ | 92.798 ± 0.011° |
Cell volume | 1182.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 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 | 0.1447 |
Residual factor for significantly intense reflections | 0.076 |
Weighted residual factors for significantly intense reflections | 0.1567 |
Weighted residual factors for all reflections included in the refinement | 0.1924 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.6889 Å |
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/7040769.html
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