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Information card for entry 4129678
Preview
| Coordinates | 4129678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H96 Li6 N6 O12 |
|---|---|
| Calculated formula | C102 H96 Li6 N6 O12 |
| Title of publication | Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates. |
| Authors of publication | Jin, Kyoung Joo; Collum, David B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 45 |
| Pages of publication | 14446 - 14455 |
| a | 12.3105 ± 0.0006 Å |
| b | 16.9749 ± 0.0009 Å |
| c | 25.2304 ± 0.0013 Å |
| α | 90° |
| β | 103.885 ± 0.003° |
| γ | 90° |
| Cell volume | 5118.3 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240352 (current) | 2019-11-25 | cif/ Adding structures of 4129678 via cif-deposit CGI script. |
4129678.cif |
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Users of the data should acknowledge the original authors of the
structural data.