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Information card for entry 1550308
Preview
| Coordinates | 1550308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H47.5 B0.5 N2 O4.5 |
|---|---|
| Calculated formula | C40 H47.5 B0.5 N2 O4.5 |
| 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 | 19.3779 ± 0.0019 Å |
| b | 14.5134 ± 0.0016 Å |
| c | 13.085 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3680 ± 0.8 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2081 |
| Weighted residual factors for all reflections included in the refinement | 0.2179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0616 |
| 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. |
1550308.cif |
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Users of the data should acknowledge the original authors of the
structural data.