Crystallography Open Database

Information card for entry 7234193

Preview

Coordinates	7234193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 N12
Calculated formula	C36 H50 N12
SMILES	CN(C)n1cccc1c1ccc(c2ccc(c3ccc(c4ccc(c5cccn5N(C)C)n4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
Title of publication	Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets
Authors of publication	Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	4316 - 4320
a	7.659 ± 0.005 Å
b	13.191 ± 0.005 Å
c	18.976 ± 0.005 Å
α	77.128 ± 0.005°
β	83.248 ± 0.005°
γ	79.8 ± 0.005°
Cell volume	1833.3 ± 1.5 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 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	0.1188
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.2028
Weighted residual factors for all reflections included in the refinement	0.2305
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218872 (current)	2019-09-26	cif/ Adding structures of 7234189, 7234190, 7234191, 7234192, 7234193 via cif-deposit CGI script.	7234193.cif