Crystallography Open Database

Information card for entry 7150409

Preview

Coordinates	7150409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H42 F18 N7 P3
Calculated formula	C46.99 H39 F18 N6.99 P3
Title of publication	Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
Authors of publication	Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	5
Pages of publication	781 - 786
a	11.9328 ± 0.0002 Å
b	11.9328 ± 0.0002 Å
c	20.0477 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2472.18 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7150409.html