Crystallography Open Database

Information card for entry 1515927

Preview

Coordinates	1515927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N
Calculated formula	C22 H19 N
SMILES	c1c(/C=C/N(/C=C/c2ccccc2)c2ccccc2)cccc1
Title of publication	Hydroamination as a route to nitrogen-containing oligomers
Authors of publication	Greenberg, Sharonna; Stephan, Douglas W.
Journal of publication	Polymer Chemistry
Year of publication	2010
Journal volume	1
Journal issue	8
Pages of publication	1332
a	16.1137 ± 0.0008 Å
b	8.8958 ± 0.0004 Å
c	22.983 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3294.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515927.cif
112456	2014-05-01	cif/ Adding structures of 1515927, 1515928, 1515929 via cif-deposit CGI script.	1515927.cif