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Information card for entry 4116483
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| Coordinates | 4116483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N3 |
|---|---|
| Calculated formula | C15 H12 N3 |
| Title of publication | Side Group Interactions in a Polydiacetylene Single Crystal |
| Authors of publication | James L. Foley; Lian Li; Daniel J. Sandman; Michael J. Vela; Bruce M. Foxman; Rick Albro; Craig J. Eckhardt |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 7262 - 7263 |
| a | 4.9192 ± 0.0016 Å |
| b | 10.847 ± 0.005 Å |
| c | 12.21 ± 0.01 Å |
| α | 84.49 ± 0.06° |
| β | 84.7 ± 0.05° |
| γ | 83.1 ± 0.03° |
| Cell volume | 641.6 ± 0.6 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0904 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1492 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4116483.cif |
| 72599 | 2013-01-22 | cif/ Adding structures of 4116483 via cif-deposit CGI script. |
4116483.cif |
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Users of the data should acknowledge the original authors of the
structural data.