Crystallography Open Database

Information card for entry 4510779

Preview

Coordinates	4510779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 N2 O8 P2
Calculated formula	C26 H26 N2 O8 P2
SMILES	c1cccc2c1c(c1ccc([NH3+])cc1)c1ccccc1c2c1ccc([NH3+])cc1.OP(=O)(O)[O-].[O-]P(=O)(O)O
Title of publication	Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions
Authors of publication	Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4986
a	32.1445 ± 0.0013 Å
b	9.5074 ± 0.0004 Å
c	8.5267 ± 0.0004 Å
α	90°
β	104.161 ± 0.002°
γ	90°
Cell volume	2526.66 ± 0.19 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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 significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510779.cif
113161	2014-05-08	cif/ Adding structures of 4510779 via cif-deposit CGI script.	4510779.cif