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Information card for entry 4325710
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Coordinates | 4325710.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | sd104 |
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Chemical name | 3-Bromo-4-(2-bromophenyl)pyridine |
Formula | C11 H7 Br2 N |
Calculated formula | C11 H7 Br2 N |
SMILES | c1(cnccc1c1c(cccc1)Br)Br |
Title of publication | Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character |
Authors of publication | Stefan Durben; Thomas Baumgartner |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6823 - 6836 |
a | 9.7205 ± 0.0007 Å |
b | 10.9312 ± 0.0009 Å |
c | 12.9728 ± 0.0009 Å |
α | 90° |
β | 130.86 ± 0.018° |
γ | 90° |
Cell volume | 1042.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0752 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4325710.cif |
179360 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57. |
4325710.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325710.cif |
44783 | 2012-03-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4325710 via cif-deposit CGI script. |
4325710.cif |
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Users of the data should acknowledge the original authors of the
structural data.