Crystallography Open Database

Information card for entry 4124322

Preview

Coordinates	4124322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 Cu N2 O5
Calculated formula	C31 H40 Cu N2 O5
Title of publication	Formation of a Dicopper Platform Based Polyrotaxane Whose "String" and "Bead" Are Constructed from the Same Components.
Authors of publication	Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	30
Pages of publication	9535 - 9538
a	15.7816 ± 0.0008 Å
b	16.2894 ± 0.0007 Å
c	11.9362 ± 0.0006 Å
α	90°
β	107.029 ± 0.002°
γ	90°
Cell volume	2933.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0933
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124322.cif
154225	2015-09-04	cif/ Adding structures of 4124322, 4124323 via cif-deposit CGI script.	4124322.cif