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Information card for entry 7225654
Preview
| Coordinates | 7225654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tertiary amine salt |
|---|---|
| Formula | C21 H35 N7 O6 |
| Calculated formula | C21 H35 N7 O6 |
| SMILES | N(CCN(C)Cc1cc([NH3+])ccc1)(CCN(Cc1cc([NH3+])ccc1)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | The Salt-Based Catalytic Enhancement of CO2 Absorption by a Tertiary Amine Medium |
| Authors of publication | Dharmalingam, Sivanesan; Kim, Young Eun; Youn, Min Hye; Park, Ki Tae; Kim, Hak Ju; Nirmala Grace, A.; Jeong, Soon Kwan |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.3139 ± 0.0005 Å |
| b | 16.859 ± 0.0005 Å |
| c | 10.2559 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2474.93 ± 0.15 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.755 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183880 (current) | 2016-06-23 | cif/ Adding structures of 7225654 via cif-deposit CGI script. |
7225654.cif |
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