Crystallography Open Database

Information card for entry 1505045

Preview

Coordinates	1505045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16
Calculated formula	C26 H15.6
SMILES	c1ccc(cc1)c1c2c3c(c4c2cccc4)cccc3c2c1cccc2
Title of publication	Aggregation-Induced Emission: Effects of Molecular Structure, Solid-State Conformation, and Morphological Packing Arrangement on Light-Emitting Behaviors of Diphenyldibenzofulvene Derivatives
Authors of publication	Tong, H.; Dong, Y.; Hong, Y.; Haussler, M.; Lam, J.W.Y.; Sung, H.H.-Y.; Yu, X.; Sun, J.; Williams, I.D.; Kwok, H.S.; Tang, B.Z.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2007
Journal volume	111
Journal issue	5
Pages of publication	2287
a	11.9998 ± 0.0004 Å
b	18.2129 ± 0.0005 Å
c	7.9427 ± 0.0002 Å
α	90°
β	108.075 ± 0.002°
γ	90°
Cell volume	1650.22 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1505045.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505045.cif
45302	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505045 via cif-deposit CGI script.	1505045.cif