Crystallography Open Database

Information card for entry 1518200

Preview

Coordinates	1518200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N4
Calculated formula	C28 H20 N4
SMILES	N(=Nc1ccccc1)c1c(c(N=Nc2ccccc2)ccc1)c1cccc2ccccc12
Title of publication	Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light
Authors of publication	Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	973
a	7.8497 ± 0.0005 Å
b	10.7861 ± 0.0008 Å
c	14.7876 ± 0.001 Å
α	109.56 ± 0.003°
β	91.8983 ± 0.0018°
γ	111.312 ± 0.003°
Cell volume	1081.87 ± 0.13 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 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.	1518200.cif
130951	2015-02-04	cif/ Updating files of 1518200 Original log message: Adding full bibliography for 1518200.cif.	1518200.cif
126296	2014-11-06	cif/ Adding structures of 1518200 via cif-deposit CGI script.	1518200.cif