Crystallography Open Database

Information card for entry 7112186

Preview

Coordinates	7112186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H23 Cl3 N2
Calculated formula	C39 H23 Cl3 N2
SMILES	ClC(Cl)Cl.n1c2c(c(C3=C(c4cccc5cccc3c45)c3c4ccccc4nc4ccccc34)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	21.8437 ± 0.0016 Å
b	13.9673 ± 0.0009 Å
c	9.6149 ± 0.0011 Å
α	90°
β	94.127 ± 0.004°
γ	90°
Cell volume	2925.9 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	7112186.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112186.cif
108111	2014-03-27	cif/ Adding structures of 7112185, 7112186, 7112187, 7112188, 7112189, 7112190, 7112191, 7112192 via cif-deposit CGI script.	7112186.cif