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Information card for entry 1502962
Preview
Coordinates | 1502962.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H42 Br2 N2 S2 Si2 |
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Calculated formula | C24 H42 Br2 N2 S2 Si2 |
SMILES | Brc1nc(sc1c1sc([Si](C(C)C)(C(C)C)C(C)C)nc1Br)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes. |
Authors of publication | Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2136 - 2139 |
a | 7.609 ± 0.0004 Å |
b | 7.8362 ± 0.0004 Å |
c | 14.006 ± 0.001 Å |
α | 96.084 ± 0.001° |
β | 91.377 ± 0.001° |
γ | 116.781 ± 0.001° |
Cell volume | 738.91 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0188 |
Residual factor for significantly intense reflections | 0.0178 |
Weighted residual factors for significantly intense reflections | 0.0531 |
Weighted residual factors for all reflections included in the refinement | 0.0536 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/1502962.html
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