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Information card for entry 7121424
Preview
| Coordinates | 7121424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 O5 |
|---|---|
| Calculated formula | C26 H22 O5 |
| Title of publication | A microfluidic photoreactor enables 2-methylbenzophenone light-driven reactions with superior performance. |
| Authors of publication | Mateos, Javier; Cherubini-Celli, Alessio; Carofiglio, Tommaso; Bonchio, Marcella; Marino, Nadia; Companyó, Xavier; Dell'Amico, Luca |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 50 |
| Pages of publication | 6820 - 6823 |
| a | 8.58811 ± 0.00015 Å |
| b | 9.78515 ± 0.00016 Å |
| c | 13.2312 ± 0.0002 Å |
| α | 89.0458 ± 0.0013° |
| β | 80.7673 ± 0.0014° |
| γ | 86.3224 ± 0.0014° |
| Cell volume | 1095.21 ± 0.03 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 | 0.0602 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121424.cif |
| 228311 | 2019-11-17 | cif/ Updating files of 7121424 Original log message: Adding full bibliography for 7121424.cif. |
7121424.cif |
| 207045 | 2018-03-22 | cif/ Adding structures of 7121424 via cif-deposit CGI script. |
7121424.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.