Crystallography Open Database

Information card for entry 4030725

Preview

Coordinates	4030725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N2 O4
Calculated formula	C24 H30 N2 O4
SMILES	O=C(N[C@H](c1ccccc1)C)[C@](NC(=O)C)(Cc1ccccc1)C(=O)OC(C)(C)C
Title of publication	Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.
Authors of publication	Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	6
Pages of publication	3270 - 3279
a	8.077 ± 0.0005 Å
b	10.5732 ± 0.0008 Å
c	26.8277 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2291.1 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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 significantly intense reflections	0.0447
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178486 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07.	4030725.cif
134827	2015-04-04	cif/ Updating files of 4030725 Original log message: Adding full bibliography for 4030725.cif.	4030725.cif
132510	2015-02-27	cif/ Adding structures of 4030725 via cif-deposit CGI script.	4030725.cif