Crystallography Open Database

Information card for entry 7112189

Preview

Coordinates	7112189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H26 N2
Calculated formula	C39 H26 N2
SMILES	n1c2c(c(C3=C(c4cccc5cccc3c45)C3c4ccccc4N(c4ccccc34)C)c3c1cccc3)cccc2
Title of publication	Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond
Authors of publication	Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3924
a	9.848 ± 0.006 Å
b	11.966 ± 0.006 Å
c	12.247 ± 0.007 Å
α	97.95 ± 0.006°
β	111.742 ± 0.01°
γ	95.696 ± 0.008°
Cell volume	1309.8 ± 1.3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0582
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112189.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112189.cif
108111	2014-03-27	cif/ Adding structures of 7112185, 7112186, 7112187, 7112188, 7112189, 7112190, 7112191, 7112192 via cif-deposit CGI script.	7112189.cif