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Information card for entry 2242927
Preview
| Coordinates | 2242927.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>L</i>-Ascorbic acid–4,4'-bipyridine (1/1) |
|---|---|
| Formula | C22 H24 N2 O12 |
| Calculated formula | C22 H24 N2 O12 |
| Title of publication | Partial charge transfer in the salt co-crystal of <small>L</small>-ascorbic acid and 4,4'-bipyridine |
| Authors of publication | Sylvester, Eric; McGovern, Mitchell; Young Lee, An; Nguyen, Phanxico; Park, Jungeun; Benedict, Jason B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 728 - 731 |
| a | 4.7724 ± 0.0006 Å |
| b | 14.4069 ± 0.0017 Å |
| c | 15.6857 ± 0.0019 Å |
| α | 90° |
| β | 98.393 ± 0.002° |
| γ | 90° |
| Cell volume | 1066.9 ± 0.2 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0607 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242927.cif |
| 214939 | 2019-05-04 | cif/ hkl/ Adding structures of 2242927 via cif-deposit CGI script. |
2242927.cif |
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Users of the data should acknowledge the original authors of the
structural data.