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Information card for entry 7204728
Preview
Coordinates | 7204728.cif |
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Original paper (by DOI) | HTML |
Formula | C7 H6 Br2 S3 |
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Calculated formula | C7 H6 Br2 S3 |
SMILES | c1(c2c(c(s1)Br)SCCCS2)Br |
Title of publication | Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/ |
Authors of publication | Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2003 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 2075 |
a | 8.7028 ± 0.0002 Å |
b | 9.1688 ± 0.0003 Å |
c | 15.066 ± 0.0005 Å |
α | 75.457 ± 0.001° |
β | 89.666 ± 0.002° |
γ | 64.081 ± 0.002° |
Cell volume | 1039.13 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0587 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1334 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7204728.html
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