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Information card for entry 4519129
Preview
| Coordinates | 4519129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Cl N O4 |
|---|---|
| Calculated formula | C19 H22 Cl N O4 |
| SMILES | Clc1ccc(C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC)cc1 |
| 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 | 10.1138 ± 0.0007 Å |
| b | 7.5024 ± 0.0005 Å |
| c | 24.5925 ± 0.0017 Å |
| α | 90° |
| β | 97.092 ± 0.003° |
| γ | 90° |
| Cell volume | 1851.7 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300.15 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 | 0.1118 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1597 |
| Weighted residual factors for all reflections included in the refinement | 0.2019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271013 (current) | 2021-12-03 | cif/ Adding structures of 4519129 via cif-deposit CGI script. |
4519129.cif |
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Users of the data should acknowledge the original authors of the
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