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Information card for entry 7160508
Preview
| Coordinates | 7160508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H54 N4 O10 |
|---|---|
| Calculated formula | C44 H54 N4 O10 |
| Title of publication | Aromatic layered foldamer based on (cis, cis)-squaramide: Chiral induction and absolute structure |
| Authors of publication | Kuyama, Kazusa; Takeda, Fumi; Ikeda, Ayano; Tanaka, Kimiko; Katagiri, Kosuke; Kawahata, Masatoshi; Okada, Yusuke; Kobayashi, Nagao; Kagechika, Hiroyuki; Tanatani, Aya |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 16.05 ± 0.003 Å |
| b | 8.83 ± 0.0018 Å |
| c | 16.355 ± 0.003 Å |
| α | 90° |
| β | 116.59 ± 0.03° |
| γ | 90° |
| Cell volume | 2072.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1132 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299335 (current) | 2025-04-19 | cif/ Adding structures of 7160508 via cif-deposit CGI script. |
7160508.cif |
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Users of the data should acknowledge the original authors of the
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