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Information card for entry 1571741
Preview
Coordinates | 1571741.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H46 B12 Cl2 N2 O4 |
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Calculated formula | C31 H46 B12 Cl2 N2 O4 |
Title of publication | A Pd-catalyzed route to carborane-fused boron heterocycles. |
Authors of publication | Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 27 |
Pages of publication | 10392 - 10401 |
a | 10.2799 ± 0.0002 Å |
b | 29.3893 ± 0.0006 Å |
c | 13.7124 ± 0.0003 Å |
α | 90° |
β | 103.772 ± 0.001° |
γ | 90° |
Cell volume | 4023.68 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1168 |
Residual factor for significantly intense reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.2632 |
Weighted residual factors for all reflections included in the refinement | 0.2951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1571741.html
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Users of the data should acknowledge the original authors of the
structural data.