Crystallography Open Database

Information card for entry 1551373

Preview

Coordinates	1551373.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	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 H88.0008 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	19.3322 ± 0.0008 Å
b	19.3322 ± 0.0008 Å
c	28.9191 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	9360 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0641
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215891 (current)	2019-06-12	cif/ Adding structures of 1551373 via cif-deposit CGI script.	1551373.cif