Crystallography Open Database

Information card for entry 1504958

Preview

Coordinates	1504958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N3 O
Calculated formula	C24 H21 N3 O
Title of publication	Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.
Authors of publication	Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	23
Pages of publication	5389 - 5392
a	11.6325 ± 0.001 Å
b	20.372 ± 0.002 Å
c	16.4678 ± 0.0016 Å
α	90°
β	97.997 ± 0.002°
γ	90°
Cell volume	3864.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1504958.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504958.cif
42500	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504958 via cif-deposit CGI script.	1504958.cif