Crystallography Open Database

Information card for entry 1551326

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Coordinates	1551326.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	20.6071 ± 0.0011 Å
b	20.6071 ± 0.0011 Å
c	44.949 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	16530.4 ± 1.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0798
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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