Crystallography Open Database

Information card for entry 7153849

Preview

Coordinates	7153849.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[2]pseudorotaxane Ph2IMPh-COOMe BF4
Formula	C49 H54 B F4 N3 O10
Calculated formula	C49 H54 B F4 N3 O10
Title of publication	[2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.
Authors of publication	Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	27
Pages of publication	4824 - 4827
a	21.6481 ± 0.0007 Å
b	18.688 ± 0.0006 Å
c	24.7513 ± 0.0008 Å
α	90°
β	111.211 ± 0.0014°
γ	90°
Cell volume	9335 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0692
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153849.cif
119508	2014-07-07	cif/ Updating files of 7153849 Original log message: Adding full bibliography for 7153849.cif.	7153849.cif
114964	2014-05-31	cif/ Adding structures of 7153849 via cif-deposit CGI script.	7153849.cif