Crystallography Open Database

Information card for entry 1502718

Preview

Coordinates	1502718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.7 H140 O96.95
Calculated formula	C98.69 H140 O96.96
Title of publication	Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes.
Authors of publication	Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria
Journal of publication	The journal of physical chemistry. B
Year of publication	2010
Journal volume	114
Journal issue	35
Pages of publication	11489 - 11495
a	15.419 ± 0.004 Å
b	15.464 ± 0.005 Å
c	15.612 ± 0.004 Å
α	102.72 ± 0.014°
β	102.012 ± 0.012°
γ	104.309 ± 0.015°
Cell volume	3380.1 ± 1.7 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1466
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2506
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	1502718.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502718.cif
36667	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502718 via cif-deposit CGI script.	1502718.cif