Crystallography Open Database

Information card for entry 1504721

Preview

Coordinates	1504721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Br N4 O3
Calculated formula	C27 H31 Br N4 O3
SMILES	Brc1ccc([C@H]2N3N(C[C@H]2C(=O)N2N(C(CC2=O)(C)C)Cc2ccccc2)C(=O)CC3(C)C)cc1
Title of publication	Copper(II)-catalyzed exo and enantioselective cycloadditions of azomethine imines.
Authors of publication	Sibi, Mukund P.; Rane, Digamber; Stanley, Levi M.; Soeta, Takahiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	14
Pages of publication	2971 - 2974
a	10.2311 ± 0.0002 Å
b	17.311 ± 0.0004 Å
c	14.641 ± 0.0003 Å
α	90°
β	98.903 ± 0.001°
γ	90°
Cell volume	2561.83 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0575
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	1504721.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504721.cif
42315	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504721 via cif-deposit CGI script.	1504721.cif