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Information card for entry 7225200
Preview
| Coordinates | 7225200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H12 O4 |
|---|---|
| Calculated formula | C11 H12 O4 |
| SMILES | OC(=O)/C=C/c1c(OC)cc(OC)cc1 |
| Title of publication | Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization |
| Authors of publication | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 25 |
| Pages of publication | 4708 |
| a | 7.5522 ± 0.0009 Å |
| b | 8.1546 ± 0.001 Å |
| c | 8.99 ± 0.0011 Å |
| α | 91.546 ± 0.002° |
| β | 111.209 ± 0.002° |
| γ | 94.653 ± 0.002° |
| Cell volume | 513.5 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7225200.cif |
| 185212 | 2016-08-07 | cif/ Updating files of 7225194, 7225195, 7225196, 7225197, 7225198, 7225199, 7225200, 7225201, 7225202 Original log message: Adding full bibliography for 7225194--7225202.cif. |
7225200.cif |
| 182890 | 2016-05-12 | cif/ Adding structures of 7225194, 7225195, 7225196, 7225197, 7225198, 7225199, 7225200, 7225201, 7225202 via cif-deposit CGI script. |
7225200.cif |
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Users of the data should acknowledge the original authors of the
structural data.