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Information card for entry 7115785
Preview
Coordinates | 7115785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 B F2 N2 Si |
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Calculated formula | C16 H19 B F2 N2 Si |
SMILES | [Si](C#Cc1ccn2[B](F)(F)[n]3c(=Cc12)c(cc3C)C)(C)(C)C |
Title of publication | Two-color emissive probes for click reactions |
Authors of publication | Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 12694 |
a | 7.0599 ± 0.0004 Å |
b | 9.2121 ± 0.0007 Å |
c | 13.9179 ± 0.0007 Å |
α | 88.475 ± 0.003° |
β | 76.337 ± 0.004° |
γ | 72.777 ± 0.004° |
Cell volume | 839.2 ± 0.09 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.122 |
Weighted residual factors for all reflections included in the refinement | 0.1377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7115785.html
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Users of the data should acknowledge the original authors of the
structural data.