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Information card for entry 4128835
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4128835.cif |
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Original paper (by DOI) | HTML |
Formula | C82.5 H71 B2 Cl N4 |
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Calculated formula | C82.5 H71 B2 Cl N4 |
Title of publication | Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization. |
Authors of publication | Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 35 |
Pages of publication | 13729 - 13733 |
a | 12.2016 ± 0.0011 Å |
b | 15.2052 ± 0.0014 Å |
c | 17.0465 ± 0.0016 Å |
α | 96.263 ± 0.002° |
β | 97.224 ± 0.002° |
γ | 92.9468 ± 0.0019° |
Cell volume | 3112 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.2109 |
Residual factor for significantly intense reflections | 0.0932 |
Weighted residual factors for significantly intense reflections | 0.2249 |
Weighted residual factors for all reflections included in the refinement | 0.2743 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/4128835.html
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Users of the data should acknowledge the original authors of the
structural data.