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Information card for entry 4024665
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| Coordinates | 4024665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3C-acrylate-tethered-cyclophane |
|---|---|
| Formula | C23 H20 O6 |
| Calculated formula | C23 H20 O6 |
| Title of publication | X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative |
| Authors of publication | Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 5192 - 5198 |
| a | 14.25 ± 0.0016 Å |
| b | 7.8987 ± 0.0009 Å |
| c | 16.1812 ± 0.0018 Å |
| α | 90° |
| β | 95.752 ± 0.001° |
| γ | 90° |
| Cell volume | 1812.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0983 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4024665.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024665.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024665.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024665.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024665.cif |
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