Crystallography Open Database

Information card for entry 1503156

Preview

Coordinates	1503156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 Cl2 N4 Ni O4
Calculated formula	C43 H44 Cl2 N4 Ni O4
Title of publication	Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.
Authors of publication	Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	18
Pages of publication	4002 - 4005
a	12.3092 ± 0.0019 Å
b	12.3128 ± 0.0019 Å
c	12.973 ± 0.002 Å
α	90.061 ± 0.002°
β	102.664 ± 0.002°
γ	98.557 ± 0.002°
Cell volume	1895.9 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503156.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503156.cif
37047	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503156 via cif-deposit CGI script.	1503156.cif