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Information card for entry 1504438
Preview
Coordinates | 1504438.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34.5 H22 Br2 O2 |
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Calculated formula | C34.5 H22 Br2 O2 |
SMILES | Brc1cc2c(cc1)c1ccc(Br)cc1C12c2c(Oc3cc(Oc4ccccc4)ccc13)cccc2.Cc1ccccc1 |
Title of publication | “One-Pot” Synthesis of a Thermally Stable Blue Emitter: Poly[spiro(fluorene-9,9′-(2′-phenoxy-xanthene)] |
Authors of publication | McFarlane, Shaune L.; Coumont, Leah S.; Piercey, Davin G.; McDonald, Robert; Veinot, Jonathan G. C. |
Journal of publication | Macromolecules |
Year of publication | 2008 |
Journal volume | 41 |
Journal issue | 21 |
Pages of publication | 7780 |
a | 9.024 ± 0.0006 Å |
b | 10.6443 ± 0.0007 Å |
c | 15.295 ± 0.001 Å |
α | 109.647 ± 0.0008° |
β | 94.2604 ± 0.0009° |
γ | 93.674 ± 0.0009° |
Cell volume | 1373.58 ± 0.16 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1504438.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504438.cif |
42051 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504438 via cif-deposit CGI script. |
1504438.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.