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Information card for entry 7220212
Preview
| Coordinates | 7220212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N4 O3 |
|---|---|
| Calculated formula | C13 H10 N4 O3 |
| SMILES | O=C1Nc2c(C1(CN(=O)=O)C(C#N)C#N)cc(cc2)C |
| Title of publication | Biocatalytic one-pot three-component synthesis of 3,3’-disubstituted oxindoles and spirooxindole pyrans using α-amylase from hog pancreas |
| Authors of publication | He, Tao; Zeng, Qingqing; yang, Dacheng; He, Yanhong; Guan, Zhi |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.21681 ± 0.00017 Å |
| b | 7.14117 ± 0.00012 Å |
| c | 19.9378 ± 0.0003 Å |
| α | 90° |
| β | 92.7636 ± 0.0015° |
| γ | 90° |
| Cell volume | 1310.76 ± 0.04 Å3 |
| Cell temperature | 288.91 ± 0.1 K |
| Ambient diffraction temperature | 288.91 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 135765 (current) | 2015-05-08 | cif/ Adding structures of 7220212, 7220213 via cif-deposit CGI script. |
7220212.cif |
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Users of the data should acknowledge the original authors of the
structural data.