Crystallography Open Database

Information card for entry 1502734

Preview

Coordinates	1502734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30
Calculated formula	C44 H30
SMILES	c12c(ccc(c1)c1ccccc1c1ccccc1)c1c(cc(cc1)c1c(c3ccccc3)cccc1)C2=C1C=CC=CC=C1
Title of publication	Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride
Authors of publication	Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	43
Pages of publication	18702
a	39.1553 ± 0.0007 Å
b	39.1553 ± 0.0007 Å
c	11.16743 ± 0.00018 Å
α	90°
β	90°
γ	120°
Cell volume	14827.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1502734.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502734.cif
36682	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502734 via cif-deposit CGI script.	1502734.cif