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Information card for entry 7123186
Preview
| Coordinates | 7123186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H64 N6 |
|---|---|
| Calculated formula | C64 H64 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 | 38.1618 ± 0.0013 Å |
| b | 10.601 ± 0.0004 Å |
| c | 12.8755 ± 0.0005 Å |
| α | 90° |
| β | 96.379 ± 0.003° |
| γ | 90° |
| Cell volume | 5176.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.2786 |
| Weighted residual factors for all reflections included in the refinement | 0.2924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7123186.cif |
| 214303 | 2019-03-24 | cif/ Adding structures of 7123179, 7123180, 7123181, 7123182, 7123183, 7123184, 7123185, 7123186 via cif-deposit CGI script. |
7123186.cif |
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Users of the data should acknowledge the original authors of the
structural data.