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Information card for entry 4108408
Preview
Coordinates | 4108408.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 B N |
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Calculated formula | C29 H30 B N |
SMILES | [n]12[B](c3c(c2cccc1)cccc3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Reversible Intramolecular C-C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2 |
Authors of publication | Ying-Li Rao; Hazem Amarne; Shu-Bin Zhao; Theresa M. McCormick; Sanela Martić; Yi Sun; Rui-Yao Wang; Suning Wang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12898 - 12900 |
a | 11.3972 ± 0.0007 Å |
b | 12.7454 ± 0.0008 Å |
c | 15.7096 ± 0.001 Å |
α | 90° |
β | 92.677 ± 0.001° |
γ | 90° |
Cell volume | 2279.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0669 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1303 |
Weighted residual factors for all reflections included in the refinement | 0.1437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4108408.html
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