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Information card for entry 1502770
Preview
Coordinates | 1502770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 I2 N O2 S2 |
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Calculated formula | C23 H17 I2 N O2 S2 |
SMILES | s1c(I)cc2c1c1cc(c(cc1c1sc(cc1N2c1ccc(cc1)C)I)OC)OC |
Title of publication | Conducting Thiophene-Annulated Azepine Polymers |
Authors of publication | Song, Changsik; Walker, D. Barney; Swager, Timothy M. |
Journal of publication | Macromolecules |
Year of publication | 2010 |
Journal volume | 43 |
Journal issue | 12 |
Pages of publication | 5233 |
a | 8.628 ± 0.0003 Å |
b | 14.8751 ± 0.0005 Å |
c | 17.4444 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2238.86 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0195 |
Residual factor for significantly intense reflections | 0.0191 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0527 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1502770.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502770.cif |
36732 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502770 via cif-deposit CGI script. |
1502770.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.