Crystallography Open Database

Information card for entry 1505079

Preview

Coordinates	1505079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H54 N4 O11 S2
Calculated formula	C45 H54 N4 O11 S2
Title of publication	Synthesis, Structure, and Aggregation-Induced Emission of a Novel Lambda (Λ)-Shaped Pyridinium Salt Based on Tröger's Base
Authors of publication	Yuan, C.-X.; Tao, X.-T.; Ren, Y.; Li, Y.; Yang, J.-X.; Yu, W.-T.; Wang, L.; Jiang, M.-H.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2007
Journal volume	111
Journal issue	34
Pages of publication	12811
a	34.527 ± 0.005 Å
b	10.543 ± 0.005 Å
c	29.876 ± 0.005 Å
α	90 ± 0.005°
β	123.54 ± 0.005°
γ	90 ± 0.005°
Cell volume	9065 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2545
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71069 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.	1505079.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505079.cif
45330	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505079 via cif-deposit CGI script.	1505079.cif