Crystallography Open Database

Information card for entry 1503755

Preview

Coordinates	1503755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H190 F24 N8 O18 P4
Calculated formula	C128 H190 F24 N8 O18 P4
Title of publication	A molecular cage-based [2]rotaxane that behaves as a molecular muscle.
Authors of publication	Chuang, Chun-Ju; Li, Wan-Sheung; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chao, Ito; Chiu, Sheng-Hsien
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	385 - 388
a	20.6795 ± 0.0012 Å
b	21.847 ± 0.0008 Å
c	15.223 ± 0.0007 Å
α	90°
β	101.267 ± 0.005°
γ	90°
Cell volume	6745 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503755.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503755.cif
39048	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503755 via cif-deposit CGI script.	1503755.cif