Crystallography Open Database

Information card for entry 7003856

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Structure parameters

Formula	C19 H22 N2
Calculated formula	C19 H22 N2
SMILES	C(=Nc1c(cc(cc1C)C)C)=Nc1c(cc(cc1C)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	8.4 ± 0.005 Å
b	8.612 ± 0.005 Å
c	11.692 ± 0.005 Å
α	76.709 ± 0.005°
β	75.502 ± 0.005°
γ	82.349 ± 0.005°
Cell volume	794.4 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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