Crystallography Open Database

Information card for entry 7110350

Preview

Coordinates	7110350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H93 Cd2 N9 O21
Calculated formula	C72 H93 Cd2 N9 O21
Title of publication	Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
Authors of publication	Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2014
Journal volume	50
Journal issue	9
Pages of publication	1125 - 1127
a	10.239 ± 0.002 Å
b	13.283 ± 0.003 Å
c	15.851 ± 0.003 Å
α	73.28 ± 0.03°
β	79.44 ± 0.03°
γ	80.24 ± 0.03°
Cell volume	2014 ± 0.8 Å³
Cell temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210842 (current)	2018-09-11	cif/7/11/03/ Updating bibliography in entries 7110350-7110352.	7110350.cif
180217	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/03.	7110350.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110350.cif
94646	2014-01-27	cif/ Adding structures of 7110350, 7110351, 7110352 via cif-deposit CGI script.	7110350.cif