Crystallography Open Database

Information card for entry 7127562

Preview

Coordinates	7127562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.72 H31.44 F12 N4 O4.24 P2
Calculated formula	C27.72 H31.44 F12 N4 O4.24 P2
Title of publication	Imidazolium-based catenane host for bromide recognition in aqueous media.
Authors of publication	Serpell, Christopher J.; Park, Ah Young; Robinson, Carol V.; Beer, Paul D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	1
Pages of publication	101 - 104
a	24.685 ± 0.0004 Å
b	6.8709 ± 0.0001 Å
c	19.9436 ± 0.0003 Å
α	90°
β	97.1114 ± 0.0006°
γ	90°
Cell volume	3356.58 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for all reflections	0.2568
Weighted residual factors for significantly intense reflections	0.2459
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.0445
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261527 (current)	2021-02-05	cif/ Updating files of 7127560, 7127561, 7127562 Original log message: Adding full bibliography for 7127560--7127562.cif.	7127562.cif
259781	2020-12-11	cif/ Adding structures of 7127560, 7127561, 7127562 via cif-deposit CGI script.	7127562.cif