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Information card for entry 7229231
Preview
| Coordinates | 7229231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | calixsalen |
|---|---|
| Formula | C84 H104 N12 O17.5 |
| Calculated formula | C84 H104 N12 O17.5 |
| Title of publication | Unexpected formation of a tubular architecture by optically active pure organic calixsalen |
| Authors of publication | Petryk, Małgorzata; Janiak, Agnieszka; Kwit, Marcin |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 33.5891 ± 0.0007 Å |
| b | 33.5891 ± 0.0007 Å |
| c | 35.8422 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 40438.2 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 98 |
| Hermann-Mauguin space group symbol | I 41 2 2 |
| Hall space group symbol | I 4bw 2bw |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1695 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201248 (current) | 2017-09-25 | cif/ Adding structures of 7229231 via cif-deposit CGI script. |
7229231.cif |
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