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Information card for entry 7229909
Preview
| Coordinates | 7229909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 N3 O4 |
|---|---|
| Calculated formula | C26 H20 N3 O4 |
| Title of publication | Co-crystals and Salts of Vanillic Acid and Vanillin with Amines |
| Authors of publication | Amombo Noa, Francoise M.; Mehlana, Gift |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 7 |
| Pages of publication | 896 - 905 |
| a | 7.1376 ± 0.0004 Å |
| b | 9.5383 ± 0.0005 Å |
| c | 16.6511 ± 0.0009 Å |
| α | 98.339 ± 0.001° |
| β | 101.009 ± 0.001° |
| γ | 108.288 ± 0.001° |
| Cell volume | 1030.69 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0501 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229909.cif |
| 218546 | 2019-09-19 | cif/7/22/99/ Updated bibliographic information in entries 7229901-7229909. |
7229909.cif |
| 204961 | 2018-01-09 | cif/ Adding structures of 7229901, 7229902, 7229903, 7229904, 7229905, 7229906, 7229907, 7229908, 7229909 via cif-deposit CGI script. |
7229909.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.