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Information card for entry 7204426
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| Coordinates | 7204426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | japoe10 |
|---|---|
| Chemical name | trans-1-(6-Methoxy-1-tetralinylidene)-6-methoxytetralane |
| Formula | C22 H24 O2 |
| Calculated formula | C22 H24 O2 |
| SMILES | c1c2c(/C(CCC2)=C2/c3c(cc(cc3)OC)CCC2)ccc1OC |
| Title of publication | Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties |
| Authors of publication | Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue |
| Journal of publication | J. Chem. Soc., Perkin Trans. 2 |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 1760 - 1771 |
| a | 26.192 ± 0.001 Å |
| b | 9.483 ± 0.001 Å |
| c | 6.913 ± 0.001 Å |
| α | 90° |
| β | 101.3 ± 0.1° |
| γ | 90° |
| Cell volume | 1683.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180375 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/44. |
7204426.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7204426.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204426.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7204426.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204426.cif |
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Users of the data should acknowledge the original authors of the
structural data.