Crystallography Open Database

Information card for entry 1501961

1501960 << 1501961 >> 1501962

Preview

Coordinates	1501961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N
Calculated formula	C20 H19 N
SMILES	n1c(c(cc(c1C)c1ccc(cc1)C)C)c1ccccc1
Title of publication	Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.
Authors of publication	Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1036 - 1039
a	9.3961 ± 0.0002 Å
b	9.469 ± 0.0002 Å
c	10.2833 ± 0.0002 Å
α	68.3797 ± 0.001°
β	81.4469 ± 0.0009°
γ	62.3658 ± 0.001°
Cell volume	753.26 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.061
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for all reflections	0.1077
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	0.9195
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501961.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501961.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501961.cif
35299	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501961 via cif-deposit CGI script.	1501961.cif