Crystallography Open Database

Information card for entry 1552826

Preview

Coordinates	1552826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 I N3 O2
Calculated formula	C15 H18 I N3 O2
SMILES	O=C(N/N=C/c1cc[n+](cc1)C)c1ccccc1.OC.[I-]
Title of publication	Dynamic Covalent Hydrazone Supramolecular Polymers toward Multiresponsive Self-Assembled Nanowire System
Authors of publication	Kim, Kyung-su; Cho, Hye Jin; Lee, Jookyeong; Ha, Seonggyun; Song, Sun Gu; Kim, Seunghun; Yun, Wan Soo; Kim, Seong Kyu; Huh, Joonsuk; Song, Changsik
Journal of publication	Macromolecules
Year of publication	2018
Journal volume	51
Journal issue	20
Pages of publication	8278
a	7.084 ± 0.012 Å
b	12.892 ± 0.012 Å
c	18.3 ± 0.02 Å
α	90°
β	96.39 ± 0.05°
γ	90°
Cell volume	1661 ± 4 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
227463 (current)	2019-11-12	cif/ Adding structures of 1552826 via cif-deposit CGI script.	1552826.cif