Crystallography Open Database

Information card for entry 1503123

Preview

Coordinates	1503123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N2 O6 S
Calculated formula	C24 H24 N2 O6 S
SMILES	S(=O)(=O)(N1CC(=C(C1)C=C)C(/C=C/c1ccccc1)C(=O)OCC)c1ccc(N(=O)=O)cc1
Title of publication	Ruthenium-catalyzed tandem ring-opening/ring-closing/cross-metathesis of 1,6-cyclopropene-ynes and olefins for the construction of the 3-pyrroline skeleton.
Authors of publication	Zhu, Zhi-Bin; Shi, Min
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	20
Pages of publication	4462 - 4465
a	13.5739 ± 0.0016 Å
b	15.7377 ± 0.0017 Å
c	11.1867 ± 0.0013 Å
α	90°
β	101.209 ± 0.002°
γ	90°
Cell volume	2344.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0889
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.1749
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	No
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.	1503123.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503123.cif
37029	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503123 via cif-deposit CGI script.	1503123.cif