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

Version history

Revision	Date	Message	Files
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7003856.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7003856.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003856.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003856.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003856.cif