Crystallography Open Database

Information card for entry 1551376

Preview

Coordinates	1551376.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	C162 H84 N24 O18
Calculated formula	C162 H84 N24 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	19.5973 ± 0.0005 Å
b	19.5973 ± 0.0005 Å
c	27.8613 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	9266.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3059
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
215894 (current)	2019-06-12	cif/ Adding structures of 1551376 via cif-deposit CGI script.	1551376.cif