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Information card for entry 1501992
Preview
| Coordinates | 1501992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 Si6 |
|---|---|
| Calculated formula | C108 H108 Si6 |
| SMILES | C[Si](C)(C)/C=C1/C(=C/[Si](C)(C)C)c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc(cc2)/C(=C\[Si](C)(C)C)/C(=C/[Si](C)(C)C)c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc(cc2)C(=C\[Si](C)(C)C)/C(=C/[Si](C)(C)C)/c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc1cc2 |
| Title of publication | Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload. |
| Authors of publication | Gessner, Viktoria H.; Tilley, T. Don |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1154 - 1157 |
| a | 78.14 ± 0.04 Å |
| b | 11.995 ± 0.006 Å |
| c | 25.629 ± 0.012 Å |
| α | 90° |
| β | 104.904 ± 0.008° |
| γ | 90° |
| Cell volume | 23214 ± 2 Å3 |
| Cell temperature | 149 ± 2 K |
| Ambient diffraction temperature | 149 ± 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 | 0.2386 |
| Residual factor for significantly intense reflections | 0.1116 |
| Weighted residual factors for significantly intense reflections | 0.2185 |
| Weighted residual factors for all reflections included in the refinement | 0.2345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| 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. |
1501992.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501992.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501992.cif |
| 35324 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501991, 1501992 via cif-deposit CGI script. |
1501992.cif |
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