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Information card for entry 4519127
Preview
| Coordinates | 4519127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 N O4 |
|---|---|
| Calculated formula | C20 H25 N O4 |
| Title of publication | Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation. |
| Authors of publication | Seal, Nilanjan; Neogi, Subhadip |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 46 |
| Pages of publication | 55123 - 55135 |
| a | 10.116 ± 0.013 Å |
| b | 7.483 ± 0.009 Å |
| c | 24.57 ± 0.04 Å |
| α | 90° |
| β | 97.88 ± 0.06° |
| γ | 90° |
| Cell volume | 1842 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| 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 | 0.3129 |
| Residual factor for significantly intense reflections | 0.1033 |
| Weighted residual factors for significantly intense reflections | 0.2417 |
| Weighted residual factors for all reflections included in the refinement | 0.3863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271011 (current) | 2021-12-03 | cif/ Adding structures of 4519127 via cif-deposit CGI script. |
4519127.cif |
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Users of the data should acknowledge the original authors of the
structural data.