Crystallography Open Database

Information card for entry 4110306

Preview

Coordinates	4110306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H50 F30 N4 O11
Calculated formula	C82 H48 F30 N4 O11
Title of publication	Sterically Controlled Recognition of Macromolecular Sequence Information by Molecular Tweezers
Authors of publication	Howard M. Colquhoun; Zhixue Zhu; Christine J. Cardin; Yu Gan; Michael G. B. Drew
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	16163 - 16174
a	14.688 ± 0.017 Å
b	25.33 ± 0.03 Å
c	20.85 ± 0.02 Å
α	90°
β	101.701 ± 0.01°
γ	90°
Cell volume	7596 ± 15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1719
Residual factor for significantly intense reflections	0.139
Weighted residual factors for significantly intense reflections	0.3862
Weighted residual factors for all reflections included in the refinement	0.4211
Goodness-of-fit parameter for all reflections included in the refinement	1.607
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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