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Information card for entry 4108409
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Coordinates | 4108409.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H42 B Cl2 N |
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Calculated formula | C39 H42 B Cl2 N |
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 | 12.021 ± 0.008 Å |
b | 12.104 ± 0.008 Å |
c | 13.193 ± 0.009 Å |
α | 107.38 ± 0.008° |
β | 101.907 ± 0.008° |
γ | 102.516 ± 0.008° |
Cell volume | 1711 ± 2 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2642 |
Residual factor for significantly intense reflections | 0.0878 |
Weighted residual factors for significantly intense reflections | 0.2033 |
Weighted residual factors for all reflections included in the refinement | 0.2942 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108409.html
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Users of the data should acknowledge the original authors of the
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