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Information card for entry 8106618
Preview
| Coordinates | 8106618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 N O2 |
|---|---|
| Calculated formula | C9 H9 N O2 |
| Title of publication | Crystal structure of diethyl 3,3′-(diazene-1,2-diyl)(E)-dibenzoate, C18H18N2O4 |
| Authors of publication | Yongsheng, Niu; Youzhu, Yu; Aimin, Wei; Nana, Liu; Fengli, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 611 - 612 |
| a | 5.2291 ± 0.0002 Å |
| b | 10.5932 ± 0.0004 Å |
| c | 15.3775 ± 0.0006 Å |
| α | 90° |
| β | 96.619 ± 0.002° |
| γ | 90° |
| Cell volume | 846.13 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280662 (current) | 2023-01-30 | cif/ Adding structures of 8106618 via cif-deposit CGI script. |
8106618.cif |
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Users of the data should acknowledge the original authors of the
structural data.