Crystallography Open Database

Information card for entry 1506470

Preview

Coordinates	1506470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N O3 S
Calculated formula	C25 H27 N O3 S
SMILES	S(=O)(=O)(N([C@@H]([C@H](C=C)C)c1ccccc1)c1ccc(OC)cc1)c1ccc(cc1)C.S(=O)(=O)(N([C@H]([C@@H](C=C)C)c1ccccc1)c1ccc(OC)cc1)c1ccc(cc1)C
Title of publication	Palladium-catalyzed allylation of imines with allyl alcohols.
Authors of publication	Shimizu, Masamichi; Kimura, Masanari; Watanabe, Toshiya; Tamaru, Yoshinao
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	4
Pages of publication	637 - 640
a	8.5238 ± 0.0005 Å
b	15.83 ± 0.002 Å
c	16.8 ± 0.002 Å
α	90.003 ± 0.003°
β	90.0048 ± 0.0009°
γ	90.098 ± 0.001°
Cell volume	2266.9 ± 0.4 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	0.886
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506470.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506470.cif
50340	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506470 via cif-deposit CGI script.	1506470.cif