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Information card for entry 4115935
Preview
| Coordinates | 4115935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H47 N O5 |
|---|---|
| Calculated formula | C45 H47 N O5 |
| Title of publication | The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals |
| Authors of publication | Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 1818 - 1819 |
| a | 10.224 ± 0.002 Å |
| b | 10.476 ± 0.003 Å |
| c | 10.024 ± 0.003 Å |
| α | 116.84 ± 0.02° |
| β | 93.15 ± 0.02° |
| γ | 83.69 ± 0.02° |
| Cell volume | 952.2 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.7 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115935.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115935.cif |
| 70499 | 2012-12-26 | cif/ Adding structures of 4115935 via cif-deposit CGI script. |
4115935.cif |
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Users of the data should acknowledge the original authors of the
structural data.