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Information card for entry 7158387
Preview
| Coordinates | 7158387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 F3 N O3 |
|---|---|
| Calculated formula | C12 H16 F3 N O3 |
| Title of publication | New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity. |
| Authors of publication | Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 45 |
| Pages of publication | 9925 - 9935 |
| a | 5.6852 ± 0.0003 Å |
| b | 9.4367 ± 0.0004 Å |
| c | 12.6134 ± 0.0006 Å |
| α | 77.963 ± 0.004° |
| β | 77.679 ± 0.004° |
| γ | 76.073 ± 0.004° |
| Cell volume | 632.8 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271226 (current) | 2021-12-07 | cif/ Updating files of 7158386, 7158387, 7158388, 7158389, 7158390, 7158391, 7158392, 7158393, 7158394 Original log message: Adding full bibliography for 7158386--7158394.cif. |
7158387.cif |
| 270320 | 2021-11-05 | cif/ Adding structures of 7158386, 7158387, 7158388, 7158389, 7158390, 7158391, 7158392, 7158393, 7158394 via cif-deposit CGI script. |
7158387.cif |
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Users of the data should acknowledge the original authors of the
structural data.