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Information card for entry 4025706
Preview
Coordinates | 4025706.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Br Cl2 N7 O8 Zn |
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Calculated formula | C24 H24 Br Cl2 N7 O8 Zn |
SMILES | [Zn]123([n]4ccccc4C[N]2(Cc2cccc[n]12)CCn1cc(c2ccc(cc2)Br)n[n]31)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition |
Authors of publication | Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 6540 - 6548 |
a | 34.509 ± 0.007 Å |
b | 10.307 ± 0.002 Å |
c | 16.152 ± 0.003 Å |
α | 90° |
β | 92.643 ± 0.002° |
γ | 90° |
Cell volume | 5738.9 ± 1.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0712 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.2051 |
Weighted residual factors for all reflections included in the refinement | 0.211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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