Crystallography Open Database

Information card for entry 7114217

Preview

Coordinates	7114217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2
Calculated formula	C73.97 H66.5 Cl8.5 N2 O2.5 P2 Pd2
Title of publication	A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/
Authors of publication	Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	10
Pages of publication	1146
a	10.641 ± 0.003 Å
b	18.805 ± 0.005 Å
c	34.692 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	6942 ± 3 Å³
Cell temperature	150.2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114217.cif
116621	2014-06-13	cif/ Adding structures of 7114216, 7114217, 7114218 via cif-deposit CGI script.	7114217.cif