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Information card for entry 1506682
Preview
Coordinates | 1506682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H24 |
---|---|
Calculated formula | C33 H24 |
SMILES | c1ccc2cccc3c2c1C1C3=C([C@@H]2C3[C@H](C=1c1ccccc1)[C@H]1C(C3)[C@@H]21)c1ccccc1 |
Title of publication | Formal [(2+2)+2] and [(2+2)+(2+2)] nonconjugated dienediyne cascade cycloadditions. |
Authors of publication | Wu, Yao-Ting; Linden, Anthony; Siegel, Jay S. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 20 |
Pages of publication | 4353 - 4355 |
a | 15.6716 ± 0.0007 Å |
b | 9.0731 ± 0.0004 Å |
c | 16.7091 ± 0.0007 Å |
α | 90° |
β | 113.433 ± 0.003° |
γ | 90° |
Cell volume | 2179.92 ± 0.17 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0799 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506682.html
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