Crystallography Open Database

Information card for entry 4111029

Preview

Coordinates	4111029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H88.1 Cl2 N26 O30.05
Calculated formula	C42 H72.7547 Cl2 N26 O30.0447
Title of publication	High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes
Authors of publication	Pritam Mukhopadhyay; Peter Y. Zavalij; Lyle Isaacs
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14093 - 14102
a	15.3431 ± 0.0009 Å
b	16.0318 ± 0.0009 Å
c	21.0821 ± 0.0012 Å
α	69.889 ± 0.001°
β	85.777 ± 0.001°
γ	89.956 ± 0.001°
Cell volume	4854.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111029.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111029.cif
60552	2012-06-15	cif/ Adding structures of 4111029 via cif-deposit CGI script.	4111029.cif