Crystallography Open Database

Information card for entry 7150557

Preview

Coordinates	7150557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H53 Cl7 N2 O4
Calculated formula	C37 H53 Cl7 N2 O4
Title of publication	Organocatalysis by bimacrocyclic NHCs: unexpected formation of a cyclic hemiacetal instead of a γ-butyrolactone
Authors of publication	Winkelmann, Ole; Näther, Christian; Lüning, Ulrich
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	3
Pages of publication	553 - 556
a	26.471 ± 0.003 Å
b	12.5614 ± 0.0007 Å
c	16.7632 ± 0.0014 Å
α	90°
β	128.674 ± 0.009°
γ	90°
Cell volume	4351.7 ± 0.9 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.1122
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.187
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
180291 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/05.	7150557.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150557.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150557.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150557.cif