Crystallography Open Database

Information card for entry 1551375

Preview

Coordinates	1551375.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)
Formula	C168 H88 N26 O18
Calculated formula	C168.001 H88.0158 N26.0004 O18
Title of publication	Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Authors of publication	Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	779 - 784
a	19.4976 ± 0.0006 Å
b	19.4976 ± 0.0006 Å
c	29.0508 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	9564.3 ± 0.7 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1256
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2715
Weighted residual factors for all reflections included in the refinement	0.3055
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215893 (current)	2019-06-12	cif/ Adding structures of 1551375 via cif-deposit CGI script.	1551375.cif