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Information card for entry 1512265
Preview
Coordinates | 1512265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H34 N2 O2 S2 |
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Calculated formula | C30 H12 N2 O2 S2 |
Title of publication | Dithienylbenzodipyrrolidone: New Acceptor for Donor‒Acceptor Low Band Gap Polymers |
Authors of publication | Cui, Weibin; Wudl, Fred |
Journal of publication | Macromolecules |
Year of publication | 2013 |
Journal volume | 46 |
Journal issue | 18 |
Pages of publication | 7232 |
a | 5.5147 ± 0.0011 Å |
b | 9.2059 ± 0.0019 Å |
c | 14.389 ± 0.003 Å |
α | 71.786 ± 0.007° |
β | 84.056 ± 0.007° |
γ | 73.638 ± 0.007° |
Cell volume | 665.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0995 |
Residual factor for significantly intense reflections | 0.0781 |
Weighted residual factors for significantly intense reflections | 0.2015 |
Weighted residual factors for all reflections included in the refinement | 0.209 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.67 |
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. |
1512265.cif |
89047 | 2013-10-09 | cif/ Adding structures of 1512265 via cif-deposit CGI script. |
1512265.cif |
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Users of the data should acknowledge the original authors of the
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