Crystallography Open Database

Information card for entry 4105526

Preview

Coordinates	4105526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H147 F48 N13 O16 P8
Calculated formula	C154 H147 F48 N13 O16 P8
Title of publication	Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water
Authors of publication	Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	396 - 399
a	13.7023 ± 0.0002 Å
b	14.0842 ± 0.0003 Å
c	23.0481 ± 0.0004 Å
α	84.632 ± 0.001°
β	76.883 ± 0.001°
γ	68.292 ± 0.001°
Cell volume	4024.46 ± 0.13 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1828
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2401
Weighted residual factors for all reflections included in the refinement	0.2669
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178801 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55.	4105526.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105526.cif
52285	2012-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4105526 via cif-deposit CGI script.	4105526.cif