Crystallography Open Database

Information card for entry 1514482

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Structure parameters

Formula	C162 H200 B8 F32 N48 O16 P4
Calculated formula	C162 H200 B8 F32 N48 O16 P4
Title of publication	A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media
Authors of publication	Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	4
Pages of publication	1560
a	20.554 ± 0.006 Å
b	16.552 ± 0.005 Å
c	31.568 ± 0.01 Å
α	90°
β	93.445 ± 0.007°
γ	90°
Cell volume	10720 ± 6 Å³
Cell temperature	113 ± 1 K
Ambient diffraction temperature	113 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1924
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2262
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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