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Information card for entry 7250899
Preview
| Coordinates | 7250899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pFBA |
|---|---|
| Chemical name | 4 Formamidobenzoic acid |
| Formula | C8 H7 N O3 |
| Calculated formula | C8 H7 N O3 |
| Title of publication | Influence of Degraded 1,4-Dioxane on the Formylation of Para Aminobenzoic Acid: A Pathway to the Reaction Crystallization of Para Formamidobenzoic Acid |
| Authors of publication | Mathew, Ansu; Karuppannan, Srinivasan |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 8.0401 ± 0.0007 Å |
| b | 3.8577 ± 0.0004 Å |
| c | 11.7923 ± 0.001 Å |
| α | 90° |
| β | 90.148 ± 0.003° |
| γ | 90° |
| Cell volume | 365.75 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302233 (current) | 2025-09-24 | cif/ Adding structures of 7250899 via cif-deposit CGI script. |
7250899.cif |
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