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Information card for entry 1553042
Preview
| Coordinates | 1553042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H98 N8 |
|---|---|
| Calculated formula | C92 H98 N8 |
| Title of publication | Chiroptical sensing of oligonucleotides with a cyclic octapyrrole |
| Authors of publication | Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | 29 |
| a | 15.865 ± 0.004 Å |
| b | 16.43 ± 0.004 Å |
| c | 14.961 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3899.8 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 34 |
| Hermann-Mauguin space group symbol | P n n 2 |
| Hall space group symbol | P 2 -2n |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232994 (current) | 2019-11-23 | cif/ Adding structures of 1553042 via cif-deposit CGI script. |
1553042.cif |
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Users of the data should acknowledge the original authors of the
structural data.