Crystallography Open Database

Information card for entry 4130703

Preview

Coordinates	4130703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C172.93 H161.93 Cl11.79 F3 N31 O31
Calculated formula	C172.933 H161.933 Cl11.799 F3 N31 O31
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	49.748 ± 0.006 Å
b	20.6649 ± 0.0007 Å
c	44.655 ± 0.003 Å
α	90°
β	120.124 ± 0.007°
γ	90°
Cell volume	39707 ± 6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.185
Residual factor for significantly intense reflections	0.1376
Weighted residual factors for significantly intense reflections	0.3487
Weighted residual factors for all reflections included in the refinement	0.37
Goodness-of-fit parameter for all reflections included in the refinement	2.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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