Crystallography Open Database

Information card for entry 4334015

Preview

Coordinates	4334015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 N4
Calculated formula	C30 H36 N4
SMILES	N1CCN(Cc2c3c(ccc2)cccc3)CCNCCN(CC1)Cc1c2c(cccc2)ccc1
Title of publication	Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution
Authors of publication	Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2542 - 2549
a	11.5947 ± 0.0016 Å
b	14.973 ± 0.002 Å
c	16.169 ± 0.002 Å
α	81.717 ± 0.003°
β	78.957 ± 0.002°
γ	68.798 ± 0.003°
Cell volume	2560 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 all reflections	0.1317
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334015.cif
99825	2014-02-03	cif/ Adding structures of 4334015 via cif-deposit CGI script.	4334015.cif