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Information card for entry 7243035
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| Coordinates | 7243035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,6,7,9,10,11-Hexahydrobenzo[6,7]cyclohepta[1,2-b]benzo[6,7]cyclohepta[2,1-e]pyridine |
|---|---|
| Formula | C23 H21 N |
| Calculated formula | C23 H21 N |
| Title of publication | Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors |
| Authors of publication | Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 5113 - 5119 |
| a | 11.1052 ± 0.001 Å |
| b | 16.1802 ± 0.0015 Å |
| c | 9.2208 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1656.8 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268823 (current) | 2021-09-06 | cif/ Updating files of 7243033, 7243034, 7243035 Original log message: Adding full bibliography for 7243033--7243035.cif. |
7243035.cif |
| 266343 | 2021-06-10 | cif/ Adding structures of 7243033, 7243034, 7243035 via cif-deposit CGI script. |
7243035.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.