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Information card for entry 1505132
Preview
Coordinates | 1505132.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H14 Br2 F9 O4.5 |
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Calculated formula | C21 H13 Br2 F9 O4.5 |
SMILES | C([C@@H](CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)c1ccc(cc1)Br)OC(=O)c1ccc(cc1)Br.O.O |
Title of publication | Regioregular Polymerization of Fluorine-Containing Epoxides |
Authors of publication | Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko |
Journal of publication | Macromolecules |
Year of publication | 2007 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 6136 |
a | 29.61 ± 0.013 Å |
b | 29.61 ± 0.013 Å |
c | 5.579 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4891 ± 4 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 79 |
Hermann-Mauguin space group symbol | I 4 |
Hall space group symbol | I 4 |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.1442 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505132.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505132.cif |
45371 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505132 via cif-deposit CGI script. |
1505132.cif |
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Users of the data should acknowledge the original authors of the
structural data.