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Information card for entry 8104826
Preview
| Coordinates | 8104826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H45 N5 O5 |
|---|---|
| Calculated formula | C38 H45 N5 O5 |
| Title of publication | Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5 |
| Authors of publication | Gao, Xiao-Li; Jia, Shu-Shu; Su, Rui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 343 - 345 |
| a | 11.3541 ± 0.0016 Å |
| b | 12.1833 ± 0.0017 Å |
| c | 14.409 ± 0.002 Å |
| α | 68.24 ± 0.002° |
| β | 76.613 ± 0.003° |
| γ | 88.873 ± 0.003° |
| Cell volume | 1796 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.2023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273889 (current) | 2022-03-22 | cif/ Adding structures of 8104826 via cif-deposit CGI script. |
8104826.cif |
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Users of the data should acknowledge the original authors of the
structural data.