Crystallography Open Database

Information card for entry 1507376

Preview

Coordinates	1507376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N3 O4
Calculated formula	C28 H25 N3 O4
SMILES	O(C(=O)[C@@](Nc1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C.O(C(=O)[C@](Nc1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C
Title of publication	A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines.
Authors of publication	Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	21
Pages of publication	3923 - 3926
a	26.465 ± 0.005 Å
b	9.181 ± 0.001 Å
c	9.973 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2423.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507376.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507376.cif
53870	2012-04-20	cif/ Adding structures of 1507376 via cif-deposit CGI script.	1507376.cif