Crystallography Open Database

Information card for entry 4113135

Preview

Coordinates	4113135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N3 O7
Calculated formula	C24 H23 N3 O7
SMILES	o1c([C@H](N(c2ccc(OC)cc2)C(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C[C@@H](C=C)C)ccc1.o1c([C@@H](N(c2ccc(OC)cc2)C(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C[C@H](C=C)C)ccc1
Title of publication	Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc
Authors of publication	Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	14360 - 14361
a	9.321 ± 0.001 Å
b	10.529 ± 0.002 Å
c	13.773 ± 0.002 Å
α	101.263 ± 0.001°
β	102.727 ± 0.001°
γ	109.344 ± 0.004°
Cell volume	1190 ± 0.3 Å³
Cell temperature	295.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.923
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
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.	4113135.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113135.cif
65556	2012-09-05	cif/ Adding structures of 4113135 via cif-deposit CGI script.	4113135.cif