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Information card for entry 1508270
Preview
| Coordinates | 1508270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H29 Br O2 |
|---|---|
| Calculated formula | C27 H29 Br O2 |
| SMILES | Brc1cc(c(c(c1)c1c(C)cc(C)cc1C)C1OCCO1)c1c(C)cc(C)cc1C |
| Title of publication | Sterically Encumbered Bipyridyl-Derivatized Conjugated Polymers and Metallopolymers Incorporating Phenylenevinylene, Phenyleneethynylene, and Fluorenylene Segments |
| Authors of publication | He, Susan; Buelt, Ashley A.; Hanley, Jessica M.; Morgan, Brad P.; Tennyson, Andrew G.; Smith, Rhett C. |
| Journal of publication | Macromolecules |
| Year of publication | 2012 |
| Journal volume | 45 |
| Journal issue | 16 |
| Pages of publication | 6344 |
| a | 8.1338 ± 0.0011 Å |
| b | 9.735 ± 0.0015 Å |
| c | 14.8934 ± 0.0019 Å |
| α | 89.772 ± 0.006° |
| β | 87.339 ± 0.006° |
| γ | 89.842 ± 0.006° |
| Cell volume | 1178 ± 0.3 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508270.cif |
| 176729 | 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. |
1508270.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508270.cif |
| 66258 | 2012-09-09 | cif/ Adding structures of 1508270 via cif-deposit CGI script. |
1508270.cif |
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Users of the data should acknowledge the original authors of the
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