Crystallography Open Database

Information card for entry 1520542

1520541 << 1520542 >> 1520543

Preview

Coordinates	1520542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 N O4
Calculated formula	C32 H25 N O4
SMILES	O=C(OC)C(=C)[C@@H](c1c2ccccc2ccc1)CC(=C1\N=C(OC1=O)c1ccccc1)\c1ccccc1
Title of publication	Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives.
Authors of publication	Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	13
Pages of publication	3206 - 3209
a	6.62144 ± 0.00014 Å
b	20.1343 ± 0.0004 Å
c	9.362 ± 0.0002 Å
α	90°
β	100.915 ± 0.002°
γ	90°
Cell volume	1225.54 ± 0.04 Å³
Cell temperature	293.69 ± 0.1 K
Ambient diffraction temperature	293.69 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140259 (current)	2015-07-05	cif/ Updating files of 1520542 Original log message: Adding full bibliography for 1520542.cif.	1520542.cif
139237	2015-06-16	cif/ Adding structures of 1520542 via cif-deposit CGI script.	1520542.cif