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Information card for entry 7119778
Preview
| Coordinates | 7119778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 Cl N2 O3 |
|---|---|
| Calculated formula | C17 H15 Cl N2 O3 |
| SMILES | Clc1ccc(cc1)CN1OCc2c(cccc2)/C(=N\OC)C1=O |
| Title of publication | Design, synthesis, crystal structure and fungicidal activity of (E)-5-(methoxyimino)-3,5-dihydrobenzo[e][1,2]oxazepin-4(1H)-one analogues |
| Authors of publication | Yang, Dongyan; wan, chuan; He, Mengmeng; Che, chuanliang; Xiao, Yumei; bin, fu; Qin, Zhaohai |
| Journal of publication | Med. Chem. Commun. |
| Year of publication | 2017 |
| a | 8.7758 ± 0.0003 Å |
| b | 10.3761 ± 0.0004 Å |
| c | 16.7996 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1529.75 ± 0.1 Å3 |
| Cell temperature | 104.8 K |
| Ambient diffraction temperature | 104.8 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194122 (current) | 2017-03-09 | cif/ Adding structures of 7119778 via cif-deposit CGI script. |
7119778.cif |
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