Crystallography Open Database

Information card for entry 1548020

Preview

Coordinates	1548020.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C10 H8.50 N O2
Formula	C10 H8.5 N O2
Calculated formula	C10 H6.5 N O2
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	17.289 ± 0.006 Å
b	17.289 ± 0.006 Å
c	12.957 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3873 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	133
Hermann-Mauguin space group symbol	P 42/n b c
Hall space group symbol	-P 4ac 2b
Residual factor for all reflections	0.3197
Residual factor for significantly intense reflections	0.2856
Weighted residual factors for significantly intense reflections	0.5842
Weighted residual factors for all reflections included in the refinement	0.6084
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
203135 (current)	2017-11-13	cif/ Adding structures of 1548020 via cif-deposit CGI script.	1548020.cif