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Information card for entry 1574688
Preview
| Coordinates | 1574688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H64 B3 F12 N8 O4 Pd2 |
|---|---|
| Calculated formula | C100 H64 B3 F12 N8 O4 Pd2 |
| Title of publication | iso-TEtraQuinoline (i-TEQ): An Inherently Chiral N4 Macrocyclic Quinoline Tetramer |
| Authors of publication | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.0536 ± 0.0001 Å |
| b | 20.0536 ± 0.0001 Å |
| c | 24.3689 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9799.88 ± 0.11 Å3 |
| Cell temperature | 93.15 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 7 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299751 (current) | 2025-05-21 | cif/ Adding structures of 1574686, 1574687, 1574688, 1574689, 1574690 via cif-deposit CGI script. |
1574688.cif |
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Users of the data should acknowledge the original authors of the
structural data.