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Information card for entry 7123179
Preview
| Coordinates | 7123179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H31 N3 |
|---|---|
| Calculated formula | C32 H31 N3 |
| 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 | 16.079 ± 0.002 Å |
| b | 13.5974 ± 0.0016 Å |
| c | 11.5541 ± 0.001 Å |
| α | 90° |
| β | 90.546 ± 0.011° |
| γ | 90° |
| Cell volume | 2526 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1422 |
| Residual factor for significantly intense reflections | 0.0933 |
| Weighted residual factors for significantly intense reflections | 0.2415 |
| Weighted residual factors for all reflections included in the refinement | 0.2844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123179.cif |
| 214303 | 2019-03-24 | cif/ Adding structures of 7123179, 7123180, 7123181, 7123182, 7123183, 7123184, 7123185, 7123186 via cif-deposit CGI script. |
7123179.cif |
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Users of the data should acknowledge the original authors of the
structural data.