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Information card for entry 1558261
Preview
| Coordinates | 1558261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H35 Co N4 O4 |
|---|---|
| Calculated formula | C38 H35 Co N4 O4 |
| SMILES | [Co]123([OH2])([n]4c5c(ccc4)cccc5N2C(=O)c2ccccc2C)N(C(=O)c2c(C)cccc32)c2c3[n]1cccc3ccc2.O1CCCC1 |
| Title of publication | Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides. |
| Authors of publication | Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 23 |
| Pages of publication | 6085 - 6096 |
| a | 14.5135 ± 0.0005 Å |
| b | 16.2562 ± 0.0004 Å |
| c | 17.4421 ± 0.0008 Å |
| α | 87.763 ± 0.003° |
| β | 69.624 ± 0.004° |
| γ | 70.719 ± 0.003° |
| Cell volume | 3627.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.1157 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.2336 |
| Weighted residual factors for all reflections included in the refinement | 0.2488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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 |
|---|---|---|---|
| 256047 (current) | 2020-09-06 | cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif. |
1558261.cif |
| 253847 | 2020-07-06 | cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif. |
1558261.cif |
| 252963 | 2020-06-06 | cif/ Adding structures of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 via cif-deposit CGI script. |
1558261.cif |
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Users of the data should acknowledge the original authors of the
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