Crystallography Open Database

Information card for entry 7114216

Preview

Coordinates	7114216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 N O P
Calculated formula	C36 H33 N O P
SMILES	P(c1c([C@H]2OC([C@H]3N2CCC3)(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1
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	9.472 ± 0.007 Å
b	17 ± 0.01 Å
c	18.07 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	2910 ± 4 Å³
Cell temperature	150.2 K
Number of distinct elements	5
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	0.1044
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	2.81
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.	7114216.cif
116621	2014-06-13	cif/ Adding structures of 7114216, 7114217, 7114218 via cif-deposit CGI script.	7114216.cif