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Information card for entry 1550307
Preview
| Coordinates | 1550307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H52 B N2 O5 |
|---|---|
| Calculated formula | C43 H52 B N2 O5 |
| Title of publication | Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions |
| Authors of publication | Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 12.6081 ± 0.0005 Å |
| b | 14.3388 ± 0.0006 Å |
| c | 22.0714 ± 0.0007 Å |
| α | 90° |
| β | 98.028 ± 0.004° |
| γ | 90° |
| Cell volume | 3951.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212266 (current) | 2018-12-01 | cif/ Adding structures of 1550306, 1550307, 1550308, 1550309 via cif-deposit CGI script. |
1550307.cif |
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Users of the data should acknowledge the original authors of the
structural data.