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Information card for entry 7225390
Preview
| Coordinates | 7225390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N O3 S |
|---|---|
| Calculated formula | C23 H23 N O3 S |
| SMILES | S1C(N(C(=C\C=C\c2ccccc2)/C(=O)OC)C(=O)C1)c1cc(C)ccc1C |
| Title of publication | A Facile and Chemoselective Synthesis of 1,4-Benzodiazepin-2-ones and Dienyl Thiazolidin-4-ones |
| Authors of publication | Kuila, Bilash; Kumar, Yogesh; mahajan, Dinesh; Kumar, Kapil; Singh, Prabhpreet; Bhargava, Gaurav |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.2967 ± 0.0005 Å |
| b | 18.015 ± 0.0013 Å |
| c | 15.0313 ± 0.0011 Å |
| α | 90° |
| β | 97.477 ± 0.002° |
| γ | 90° |
| Cell volume | 1959.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| 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 |
|---|---|---|---|
| 183209 (current) | 2016-06-01 | cif/ Adding structures of 7225390 via cif-deposit CGI script. |
7225390.cif |
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Users of the data should acknowledge the original authors of the
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