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Information card for entry 4024081
Preview
| Coordinates | 4024081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 |
|---|---|
| Calculated formula | C24 H28 |
| SMILES | C1(/C(Cc2cc(ccc12)C)(C)C)=C1\C(Cc2cc(ccc12)C)(C)C |
| Title of publication | Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes |
| Authors of publication | Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 6251 - 6254 |
| a | 9.5186 ± 0.0003 Å |
| b | 12.2793 ± 0.0004 Å |
| c | 16.6625 ± 0.0007 Å |
| α | 98.6777 ± 0.0015° |
| β | 97.2329 ± 0.0019° |
| γ | 102.827 ± 0.0011° |
| Cell volume | 1851.35 ± 0.11 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209364 (current) | 2018-08-02 | cif/4/02/40/ Updating space group information in entry 4024081. |
4024081.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4024081.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024081.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024081.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. |
4024081.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
4024081.cif |
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Users of the data should acknowledge the original authors of the
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