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Information card for entry 7160223
Preview
| Coordinates | 7160223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H30 N6 O6 |
|---|---|
| Calculated formula | C36 H30 N6 O6 |
| Title of publication | Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties |
| Authors of publication | Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 29.5567 ± 0.0006 Å |
| b | 29.5567 ± 0.0006 Å |
| c | 18.0997 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13693.5 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.2395 |
| Residual factor for significantly intense reflections | 0.0931 |
| Weighted residual factors for significantly intense reflections | 0.1965 |
| Weighted residual factors for all reflections included in the refinement | 0.2615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295830 (current) | 2024-11-08 | cif/ Adding structures of 7160223, 7160224 via cif-deposit CGI script. |
7160223.cif |
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Users of the data should acknowledge the original authors of the
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