Crystallography Open Database

Information card for entry 4130707

Preview

Coordinates	4130707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141.74 H140.4 Cl5.22 N28 O31.34
Calculated formula	C141.742 H133.742 Cl5.226 N28 O31.334
Title of publication	Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.
Authors of publication	Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	32
Pages of publication	10314 - 10322
a	19.64 ± 0.004 Å
b	22.54 ± 0.005 Å
c	39.4 ± 0.008 Å
α	90°
β	101.49 ± 0.03°
γ	90°
Cell volume	17092 ± 6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.2255
Residual factor for significantly intense reflections	0.1937
Weighted residual factors for significantly intense reflections	0.4856
Weighted residual factors for all reflections included in the refinement	0.5086
Goodness-of-fit parameter for all reflections included in the refinement	1.836
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/4130707.html