Crystallography Open Database

Information card for entry 1548012

Preview

Coordinates	1548012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N2 O4
Calculated formula	C20 H15 N2 O4
Title of publication	Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework
Authors of publication	You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	11564
a	22.691 ± 0.005 Å
b	26.989 ± 0.006 Å
c	12.841 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7864 ± 3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1542
Residual factor for significantly intense reflections	0.1347
Weighted residual factors for significantly intense reflections	0.3316
Weighted residual factors for all reflections included in the refinement	0.3453
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	1548012.cif
203127	2017-11-13	cif/ Adding structures of 1548012 via cif-deposit CGI script.	1548012.cif