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Information card for entry 7235255
Preview
| Coordinates | 7235255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-phenyl-2H-azirine-2-carboxylic acid |
|---|---|
| Formula | C9 H7 N O2 |
| Calculated formula | C9 H7 N O2 |
| Title of publication | Non-natural 2H-azirine-2-carboxylic acids: an expedient synthesis and antimicrobial activity |
| Authors of publication | Sakharov, Pavel A.; Koronatov, Alexander N.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Glukharev, Artem G.; Rogacheva, Elizaveta V.; Kraeva, Liudmila A.; Sharoyko, Vladimir V.; Tennikova, Tatiana B.; Rostovskii, Nikolai V. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 65 |
| Pages of publication | 37901 |
| a | 8.0481 ± 0.0009 Å |
| b | 9.7876 ± 0.0009 Å |
| c | 10.8529 ± 0.0013 Å |
| α | 90° |
| β | 111.525 ± 0.013° |
| γ | 90° |
| Cell volume | 795.28 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231193 (current) | 2019-11-22 | cif/ Adding structures of 7235255 via cif-deposit CGI script. |
7235255.cif |
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