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Information card for entry 4035813
Preview
| Coordinates | 4035813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52.8 Cl4 N8 O16.4 |
|---|---|
| Calculated formula | C40 H52.822 Cl4 N8 O16.411 |
| Title of publication | Chiral Cryptates Derived from a Hexaazamacrocycle. |
| Authors of publication | Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 12 |
| Pages of publication | 6748 - 6753 |
| a | 11.232 ± 0.002 Å |
| b | 12.217 ± 0.002 Å |
| c | 33.308 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4570.6 ± 1.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1199 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227239 (current) | 2019-11-11 | cif/ Adding structures of 4035810, 4035811, 4035812, 4035813, 4035814, 4035815 via cif-deposit CGI script. |
4035813.cif |
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Users of the data should acknowledge the original authors of the
structural data.