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Information card for entry 7240319
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| Coordinates | 7240319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | L-malic acid nicotinamide |
|---|---|
| Chemical name | (R)-2-hydroxysuccinic acid nicotinamide |
| Formula | C16 H18 N4 O7 |
| Calculated formula | C16 H18 N4 O7 |
| Title of publication | Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals |
| Authors of publication | Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 4.7631 ± 0.0002 Å |
| b | 8.8253 ± 0.0004 Å |
| c | 10.662 ± 0.0005 Å |
| α | 96.829 ± 0.003° |
| β | 95.279 ± 0.003° |
| γ | 105.603 ± 0.003° |
| Cell volume | 424.99 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250831 (current) | 2020-04-16 | cif/ Adding structures of 7240318, 7240319, 7240320, 7240321 via cif-deposit CGI script. |
7240319.cif |
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