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Information card for entry 7123181
Preview
| Coordinates | 7123181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H70 Cl4 N6 |
|---|---|
| Calculated formula | C66 H69.572 Cl4 N6 |
| Title of publication | A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle |
| Authors of publication | Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.9413 ± 0.0002 Å |
| b | 16.5587 ± 0.0003 Å |
| c | 31.2883 ± 0.0008 Å |
| α | 90° |
| β | 98.645 ± 0.002° |
| γ | 90° |
| Cell volume | 5604.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214303 (current) | 2019-03-24 | cif/ Adding structures of 7123179, 7123180, 7123181, 7123182, 7123183, 7123184, 7123185, 7123186 via cif-deposit CGI script. |
7123181.cif |
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Users of the data should acknowledge the original authors of the
structural data.