Crystallography Open Database

Information card for entry 1504682

Preview

Coordinates	1504682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H116 F24 N10 O6 P4 S2 Si2
Calculated formula	C84 H116 F24 N10 O6 P4 S2 Si2
Title of publication	Thiophene donor-acceptor [2]rotaxanes.
Authors of publication	Ikeda, Taichi; Higuchi, Masayoshi; Sato, Akira; Kurth, Dirk G.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2215 - 2218
a	11.323 ± 0.004 Å
b	11.942 ± 0.004 Å
c	20.512 ± 0.007 Å
α	91.128 ± 0.005°
β	101.002 ± 0.005°
γ	114.6 ± 0.005°
Cell volume	2460.2 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504682.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504682.cif
42283	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504682 via cif-deposit CGI script.	1504682.cif