Crystallography Open Database

Information card for entry 7150411

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Coordinates	7150411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 F12 N6 O7 P2
Calculated formula	C60 H64 F12 N6 O7 P2
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	9.8279 ± 0.0002 Å
b	30.0349 ± 0.001 Å
c	20.0581 ± 0.0006 Å
α	90°
β	99.28 ± 0.002°
γ	90°
Cell volume	5843.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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