Crystallography Open Database

Information card for entry 1551323

Preview

Coordinates	1551323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H237 N35
Calculated formula	C216 H237 N35
Title of publication	Trapping virtual pores by crystal retro-engineering
Authors of publication	Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Journal of publication	Nature Chemistry
Year of publication	2015
Journal volume	7
Pages of publication	153 - 159
a	20.4108 ± 0.0007 Å
b	20.4108 ± 0.0007 Å
c	44.6718 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	16117 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551323.html