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Information card for entry 1502122
Preview
| Coordinates | 1502122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H38 O2 Si2 |
|---|---|
| Calculated formula | C60 H38 O2 Si2 |
| SMILES | [Si](C#Cc1c2c(c(c3c1c1c(C3=O)cccc1)C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(C2=O)cccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 9.047 ± 0.0011 Å |
| b | 10.1467 ± 0.0012 Å |
| c | 13.3148 ± 0.0016 Å |
| α | 79.768 ± 0.002° |
| β | 78.065 ± 0.002° |
| γ | 69.549 ± 0.002° |
| Cell volume | 1113 ± 0.2 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
1502122.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502122.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502122.cif |
| 35440 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502122 via cif-deposit CGI script. |
1502122.cif |
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Users of the data should acknowledge the original authors of the
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