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Information card for entry 4064673
Preview
| Coordinates | 4064673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H42 Ge O3 |
|---|---|
| Calculated formula | C50 H42 Ge O3 |
| SMILES | [Ge]1(C#Cc2ccc(OC)cc2)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#Cc1ccc(OC)cc1.C1CCOC1 |
| Title of publication | Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission |
| Authors of publication | Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3559 |
| a | 13.2433 ± 0.0001 Å |
| b | 18.073 ± 0.0002 Å |
| c | 16.1476 ± 0.0002 Å |
| α | 90° |
| β | 92.425 ± 0.001° |
| γ | 90° |
| Cell volume | 3861.4 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections | 0.1537 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064673.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064673.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064673.cif |
| 32992 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064673 via cif-deposit CGI script. |
4064673.cif |
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Users of the data should acknowledge the original authors of the
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