Crystallography Open Database

Information card for entry 4501618

Preview

Coordinates	4501618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Cu3 N14 O28
Calculated formula	C48 H66 Cu3 N14 O28
Title of publication	Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties
Authors of publication	Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3051
a	37.382 ± 0.002 Å
b	11.1611 ± 0.0005 Å
c	15.484 ± 0.0009 Å
α	90°
β	93.917 ± 0.003°
γ	90°
Cell volume	6445.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179547 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/16.	4501618.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501618.cif
35991	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501614, 4501615, 4501616, 4501617, 4501618 via cif-deposit CGI script.	4501618.cif