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Information card for entry 7160153
Preview
| Coordinates | 7160153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 N2 O S |
|---|---|
| Calculated formula | C14 H10 N2 O S |
| Title of publication | Propargyl alcohol as an acrolein equivalent: synthesis of β-(3-indolyl)acroleins and β-(imidazo[1,2-<i>a</i>]pyridin-3-yl)acroleins. |
| Authors of publication | Bhawani, ?; Sonam, ?; Shinde, Vikki N.; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 44 |
| Pages of publication | 8720 - 8723 |
| a | 10.0711 ± 0.0004 Å |
| b | 11.4925 ± 0.0005 Å |
| c | 11.9654 ± 0.0005 Å |
| α | 61.66 ± 0.004° |
| β | 81.255 ± 0.003° |
| γ | 84.932 ± 0.003° |
| Cell volume | 1204.54 ± 0.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0707 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.2031 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296658 (current) | 2024-12-06 | cif/ Updating files of 7160152, 7160153, 7160154 Original log message: Adding full bibliography for 7160152--7160154.cif. |
7160153.cif |
| 294873 | 2024-09-25 | cif/ Adding structures of 7160152, 7160153, 7160154 via cif-deposit CGI script. |
7160153.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.