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Information card for entry 7222256
Preview
| Coordinates | 7222256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N2 O8 |
|---|---|
| Calculated formula | C22 H22 N2 O8 |
| SMILES | C1(=O)c2c(cccc2C(=O)c2c1cccc2C(=O)O)C(=O)O.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction. |
| Authors of publication | Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 41 |
| Pages of publication | 27665 - 27671 |
| a | 12.817 ± 0.0011 Å |
| b | 7.3554 ± 0.0006 Å |
| c | 11.1126 ± 0.0008 Å |
| α | 90° |
| β | 98.49 ± 0.003° |
| γ | 90° |
| Cell volume | 1036.15 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222256.cif |
| 171365 | 2015-12-09 | cif/ Updating files of 7222256 Original log message: Adding full bibliography for 7222256.cif. |
7222256.cif |
| 158210 | 2015-09-22 | cif/ Adding structures of 7222256 via cif-deposit CGI script. |
7222256.cif |
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Users of the data should acknowledge the original authors of the
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