Crystallography Open Database

Information card for entry 1556535

Preview

Coordinates	1556535.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TPE-Py
Chemical name	TPE-EP-Y
Formula	C34 H28 F6 N P
Calculated formula	C34 H28 F6 N P
Title of publication	Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures
Authors of publication	Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	4
Pages of publication	997 - 1005
a	24.8939 ± 0.0007 Å
b	9.1783 ± 0.0002 Å
c	12.5794 ± 0.0003 Å
α	90°
β	98.168 ± 0.003°
γ	90°
Cell volume	2845.03 ± 0.12 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257316 (current)	2020-10-06	cif/ Updating files of 1556534, 1556535 Original log message: Adding full bibliography for 1556534--1556535.cif.	1556535.cif
247638	2020-02-04	cif/ Updating files of 1556534, 1556535 Original log message: Adding full bibliography for 1556534--1556535.cif.	1556535.cif
245034	2019-12-13	cif/ Adding structures of 1556534, 1556535 via cif-deposit CGI script.	1556535.cif