Crystallography Open Database

Information card for entry 7003854

Preview

Structure parameters

Formula	C25 H34 N2 S
Calculated formula	C25 H34 N2 S
SMILES	C(=S)(Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(i) derivatives
Authors of publication	Findlater, Michael; Hill, Nicholas J.; Cowley, Alan H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	33
Pages of publication	4419 - 4423
a	25.444 ± 0.005 Å
b	14.858 ± 0.005 Å
c	18.332 ± 0.005 Å
α	90°
β	122.823 ± 0.005°
γ	90°
Cell volume	5824 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2374
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7003854.html