Crystallography Open Database

Information card for entry 4104654

Preview

Coordinates	4104654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Br N2 O3
Calculated formula	C17 H15 Br N2 O3
SMILES	Brc1c([C@@H]([C@]2(C(=O)Nc3ccccc23)C)CN(=O)=O)cccc1
Title of publication	A Homodinuclear Mn(III)2-Schiff Base Complex for Catalytic Asymmetric 1,4-Additions of Oxindoles to Nitroalkenes
Authors of publication	Yuko Kato; Makoto Furutachi; Zhihua Chen; Harunobu Mitsunuma; Shigeki Matsunaga; Masakatsu Shibasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9168 - 9169
a	14.6514 ± 0.0003 Å
b	8.15258 ± 0.00015 Å
c	27.4291 ± 0.0005 Å
α	90°
β	105.491°
γ	90°
Cell volume	3157.3 ± 0.1 Å³
Cell temperature	93.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104654.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104654.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104654.cif
29680	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104654 via cif-deposit CGI script.	4104654.cif