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Information card for entry 4519105
Preview
| Coordinates | 4519105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H30 Ca Cl2 N2 O8 |
|---|---|
| Calculated formula | C11 H30 Ca Cl2 N2 O8 |
| Title of publication | Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst. |
| Authors of publication | Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 41 |
| Pages of publication | 27279 - 27287 |
| a | 15.779 ± 0.002 Å |
| b | 8.8435 ± 0.001 Å |
| c | 13.4059 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1870.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1581 |
| Weighted residual factors for all reflections included in the refinement | 0.203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270245 (current) | 2021-11-03 | cif/ Adding structures of 4519105 via cif-deposit CGI script. |
4519105.cif |
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Users of the data should acknowledge the original authors of the
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