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Information card for entry 1502121
Preview
| Coordinates | 1502121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H50 O2 Si2 |
|---|---|
| Calculated formula | C42 H50 O2 Si2 |
| SMILES | [Si](C#Cc1c2C(=O)c3c(c2c(c2c1c1c(C2=O)cccc1)C#C[Si](C(C)C)(C(C)C)C(C)C)cccc3)(C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones. |
| Authors of publication | Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2106 - 2109 |
| a | 7.419 ± 0.003 Å |
| b | 7.535 ± 0.003 Å |
| c | 16.904 ± 0.006 Å |
| α | 87.087 ± 0.006° |
| β | 82.826 ± 0.006° |
| γ | 79.38 ± 0.006° |
| Cell volume | 921.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1412 |
| Weighted residual factors for all reflections included in the refinement | 0.1587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502121.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502121.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502121.cif |
| 35439 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502121 via cif-deposit CGI script. |
1502121.cif |
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Users of the data should acknowledge the original authors of the
structural data.