Crystallography Open Database

Information card for entry 4110837

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Coordinates	4110837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H144 N20 O18 S5
Calculated formula	C101 H144 N20 O18 S5
Title of publication	Noncovalent Interactions within a Synthetic Receptor Can Reinforce Guest Binding
Authors of publication	Zaida Rodriguez-Docampo; Sofia I. Pascu; Stefan Kubik; Sijbren Otto
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	11206 - 11210
a	12.9731 ± 0.001 Å
b	16.0397 ± 0.001 Å
c	26.426 ± 0.001 Å
α	90°
β	93.196 ± 0.01°
γ	90°
Cell volume	5490.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.1128
Weighted residual factors for all reflections	0.1534
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.6923 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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