Crystallography Open Database

Information card for entry 4114057

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Coordinates	4114057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H77 F18 N8 O P3
Calculated formula	C80 H77 F18 N8 O P3
Title of publication	Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts
Authors of publication	Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9699 - 9715
a	9.89 ± 0.002 Å
b	17.6 ± 0.004 Å
c	22.45 ± 0.005 Å
α	104.4 ± 0.03°
β	97.6 ± 0.03°
γ	91.3 ± 0.03°
Cell volume	3745.4 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2488
Residual factor for significantly intense reflections	0.1881
Weighted residual factors for significantly intense reflections	0.3042
Weighted residual factors for all reflections included in the refinement	0.3269
Goodness-of-fit parameter for all reflections included in the refinement	1.311
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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