Crystallography Open Database

Information card for entry 7015732

Preview

Coordinates	7015732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H40 N6
Calculated formula	C27 H40 N6
Title of publication	Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.
Authors of publication	Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	24
Pages of publication	6547 - 6554
a	8.8408 ± 0.0003 Å
b	11.2369 ± 0.0004 Å
c	27.045 ± 0.0009 Å
α	90°
β	93.068 ± 0.002°
γ	90°
Cell volume	2682.89 ± 0.16 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
179861 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/57.	7015732.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015732.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015732.cif
21330	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015730, 7015731, 7015732 via cif-deposit CGI script.	7015732.cif