Crystallography Open Database

Information card for entry 4029449

Preview

Coordinates	4029449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N O3
Calculated formula	C21 H25 N O3
SMILES	[C@]1(CCCCCN1c1ccc(cc1)OC)(C(=O)OC)c1ccccc1
Title of publication	α-Allyl-α-aryl α-Amino Esters in the Asymmetric Synthesis of Acyclic and Cyclic Amino Acid Derivatives by Alkene Metathesis.
Authors of publication	Curto, John M.; Kozlowski, Marisa C.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	11
Pages of publication	5359 - 5364
a	10.1714 ± 0.001 Å
b	10.7715 ± 0.0011 Å
c	16.287 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1784.4 ± 0.3 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178473 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94.	4029449.cif
119215	2014-07-05	cif/ Updating files of 4029449 Original log message: Adding full bibliography for 4029449.cif.	4029449.cif
113807	2014-05-15	cif/ Adding structures of 4029449 via cif-deposit CGI script.	4029449.cif