Crystallography Open Database

Information card for entry 7021344

Preview

Coordinates	7021344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 F4 N4
Calculated formula	C52 H48 F4 N4
SMILES	c1(cc(F)cc(CN2CCN(CCN(CCN(CC2)Cc2c3ccccc3cc3ccccc23)Cc2cc(cc(F)c2)F)Cc2c3ccccc3cc3ccccc23)c1)F
Title of publication	Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.
Authors of publication	Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8212 - 8217
a	8.8124 ± 0.0008 Å
b	9.6778 ± 0.0009 Å
c	13.3655 ± 0.0012 Å
α	86.321 ± 0.002°
β	71.759 ± 0.002°
γ	63.608 ± 0.002°
Cell volume	965.98 ± 0.15 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179918 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/13.	7021344.cif
86905	2013-07-12	cif/ Adding structures of 7021339, 7021340, 7021341, 7021342, 7021343, 7021344, 7021345 via cif-deposit CGI script.	7021344.cif