Crystallography Open Database

Information card for entry 1515928

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Structure parameters

Formula	C20 H17 N
Calculated formula	C20 H17 N
SMILES	N(=C(Cc1ccccc1)\c1ccccc1)/c1ccccc1
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	5.5976 ± 0.0005 Å
b	8.3168 ± 0.0006 Å
c	31.769 ± 0.003 Å
α	90°
β	92.784 ± 0.004°
γ	90°
Cell volume	1477.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1515928.cif
176729	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.	1515928.cif
112456	2014-05-01	cif/ Adding structures of 1515927, 1515928, 1515929 via cif-deposit CGI script.	1515928.cif