Crystallography Open Database

Information card for entry 4132279

Preview

Coordinates	4132279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N3 O
Calculated formula	C24 H26 N3 O
SMILES	O=[N]1C(c2c(c3ccc(N)cc3)ccc(c2C1(C)C)c1ccc(N)cc1)(C)C
Title of publication	Exploring Applications of Covalent Organic Frameworks: Homogeneous Reticulation of Radicals for Dynamic Nuclear Polarization.
Authors of publication	Cao, Wei; Wang, Wei David; Xu, Hai-Sen; Sergeyev, Ivan V.; Struppe, Jochem; Wang, Xiaoling; Mentink-Vigier, Frederic; Gan, Zhehong; Xiao, Ming-Xing; Wang, Lu-Yao; Chen, Guo-Peng; Ding, San-Yuan; Bai, Shi; Wang, Wei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	22
Pages of publication	6969 - 6977
a	17.4658 ± 0.0008 Å
b	17.4658 ± 0.0008 Å
c	15.8447 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4833.5 ± 0.4 Å³
Cell temperature	295.35 ± 0.1 K
Ambient diffraction temperature	295.35 ± 0.1 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.2477
Residual factor for significantly intense reflections	0.1165
Weighted residual factors for significantly intense reflections	0.2906
Weighted residual factors for all reflections included in the refinement	0.3798
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
242276 (current)	2019-11-26	cif/ Adding structures of 4132279 via cif-deposit CGI script.	4132279.cif