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Information card for entry 7121115
Preview
| Coordinates | 7121115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 N2 O2 S |
|---|---|
| Calculated formula | C28 H24 N2 O2 S |
| SMILES | S(=O)(=O)(N1CC=C(c2c3n(c4ccccc4cc3C1)c1c2cccc1)C)c1ccc(cc1)C |
| Title of publication | Synthesis of indolizine derivatives containing eight-membered rings via a gold-catalyzed two-fold hydroarylation of diynes. |
| Authors of publication | Liu, Ruixing; Wang, Qiang; Wei, Yin; Shi, Min |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 10 |
| Pages of publication | 1225 - 1228 |
| a | 11.2498 ± 0.0012 Å |
| b | 12.7345 ± 0.0014 Å |
| c | 16.7793 ± 0.0019 Å |
| α | 70.203 ± 0.002° |
| β | 82.01 ± 0.002° |
| γ | 81.806 ± 0.003° |
| Cell volume | 2228 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1006 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228004 (current) | 2019-11-17 | cif/ Updating files of 7121115, 7121116, 7121117 Original log message: Adding full bibliography for 7121115--7121117.cif. |
7121115.cif |
| 204954 | 2018-01-09 | cif/ Adding structures of 7121115, 7121116, 7121117 via cif-deposit CGI script. |
7121115.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.