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Information card for entry 7224067
Preview
| Coordinates | 7224067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 N6 O2 |
|---|---|
| Calculated formula | C20 H16 N6 O2 |
| SMILES | c1cccc2c1c(c[nH]2)/C=N/NC(=O)C(=O)N/N=C/c1c[nH]c2c1cccc2 |
| Title of publication | A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones |
| Authors of publication | Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 18.537 ± 0.002 Å |
| b | 10.3318 ± 0.0016 Å |
| c | 9.9527 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1906.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1502 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175319 (current) | 2016-01-30 | cif/ Adding structures of 7224067, 7224068 via cif-deposit CGI script. |
7224067.cif |
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Users of the data should acknowledge the original authors of the
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