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Information card for entry 4114988
Preview
| Coordinates | 4114988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 O4 |
|---|---|
| Calculated formula | C22 H22 O4 |
| Title of publication | Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions |
| Authors of publication | Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 8891 - 8902 |
| a | 5.4658 ± 0.0005 Å |
| b | 7.6205 ± 0.0004 Å |
| c | 11.7151 ± 0.0007 Å |
| α | 103.828 ± 0.006° |
| β | 91.99 ± 0.003° |
| γ | 101.947 ± 0.004° |
| Cell volume | 461.73 ± 0.06 Å3 |
| Cell temperature | 296.1 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 | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.517 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| 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. |
4114988.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114988.cif |
| 68372 | 2012-10-25 | cif/ Adding structures of 4114988 via cif-deposit CGI script. |
4114988.cif |
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Users of the data should acknowledge the original authors of the
structural data.