Crystallography Open Database

Information card for entry 1503332

Preview

Coordinates	1503332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl N2 O6
Calculated formula	C19 H17 Cl N2 O6
Title of publication	Enantioselective conjugate addition of oximes to trisubstituted β-nitroacrylates: an organocatalytic approach to β(2,2)-amino acid derivatives.
Authors of publication	Zhang, Fu-Gen; Yang, Qing-Qing; Xuan, Jun; Lu, Hai-Hua; Duan, Shu-Wen; Chen, Jia-Rong; Xiao, Wen-Jing
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	24
Pages of publication	5636 - 5639
a	8.3959 ± 0.0009 Å
b	20.777 ± 0.002 Å
c	11.9679 ± 0.0013 Å
α	90°
β	105.102 ± 0.002°
γ	90°
Cell volume	2015.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0725
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1503332.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503332.cif
37207	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503332 via cif-deposit CGI script.	1503332.cif