Crystallography Open Database

Information card for entry 7112185

Preview

Coordinates	7112185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 N2
Calculated formula	C38 H22 N2
SMILES	c1(c(c2c3c1cccc3ccc2)c1c2ccccc2nc2ccccc12)c1c2ccccc2nc2c1cccc2
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	16.181 ± 0.009 Å
b	10.378 ± 0.005 Å
c	17.045 ± 0.009 Å
α	90°
β	117.095 ± 0.006°
γ	90°
Cell volume	2548 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
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	0.0566
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71075 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.	7112185.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112185.cif
108111	2014-03-27	cif/ Adding structures of 7112185, 7112186, 7112187, 7112188, 7112189, 7112190, 7112191, 7112192 via cif-deposit CGI script.	7112185.cif