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Information card for entry 7239123
Preview
| Coordinates | 7239123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H8 O5 |
|---|---|
| Calculated formula | C8 H8 O5 |
| Title of publication | Concurrent formation of furan-2,5- and furan-2,4-dicarboxylic acid: unexpected aspects of the Henkel reaction |
| Authors of publication | Thiyagarajan, Shanmugam; Pukin, Aliaksei; van Haveren, Jacco; Lutz, Martin; van Es, Daan S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 36 |
| Pages of publication | 15678 |
| a | 15.2706 ± 0.0019 Å |
| b | 11.075 ± 0.0013 Å |
| c | 11.6658 ± 0.0014 Å |
| α | 90° |
| β | 122.294 ± 0.003° |
| γ | 90° |
| Cell volume | 1667.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239123.cif |
| 244557 | 2019-11-28 | cif/ Adding structures of 7239123 via cif-deposit CGI script. |
7239123.cif |
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Users of the data should acknowledge the original authors of the
structural data.