Crystallography Open Database

Information card for entry 4106718

Preview

Coordinates	4106718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H132 F6 N16 O4 P S6
Calculated formula	C86 H132 F6 N16 O4 P S6
Title of publication	Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination
Authors of publication	Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14136 - 14148
a	13.3126 ± 0.0002 Å
b	13.8595 ± 0.0002 Å
c	16.0796 ± 0.0003 Å
α	110.712 ± 0.001°
β	109.217 ± 0.001°
γ	96.384 ± 0.001°
Cell volume	2531.92 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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