Crystallography Open Database

Information card for entry 1551331

Preview

Coordinates	1551331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C155.5 H234 Cl N24 O21.5
Calculated formula	C155.5 H213 Cl N24 O21.375
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	34.692 ± 0.002 Å
b	19.8867 ± 0.0013 Å
c	26.6702 ± 0.0018 Å
α	90°
β	93.334 ± 0.002°
γ	90°
Cell volume	18369 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.2748
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215828 (current)	2019-06-11	cif/ Adding structures of 1551331 via cif-deposit CGI script.	1551331.cif