Information card for entry 7015796
Formula |
C15 H10 Cl2 |
Calculated formula |
C15 H10 Cl2 |
SMILES |
ClC1(Cl)C(=C1c1ccccc1)c1ccccc1 |
Title of publication |
Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. |
Authors of publication |
Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L. |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2011 |
Journal volume |
40 |
Journal issue |
19 |
Pages of publication |
5316 - 5323 |
a |
14.3776 ± 0.0013 Å |
b |
7.8923 ± 0.0007 Å |
c |
11.2349 ± 0.001 Å |
α |
90° |
β |
105.465 ± 0.002° |
γ |
90° |
Cell volume |
1228.69 ± 0.19 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0495 |
Residual factor for significantly intense reflections |
0.0314 |
Weighted residual factors for significantly intense reflections |
0.0768 |
Weighted residual factors for all reflections included in the refinement |
0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71074 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/7015796.html