Crystallography Open Database

Information card for entry 1545165

Preview

Coordinates	1545165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 N2 O2 Si
Calculated formula	C22 H34 N2 O2 Si
Title of publication	Direct Catalytic Asymmetric Aldol Reaction of α-Alkylamides.
Authors of publication	Liu, Zijian; Takeuchi, Toshifumi; Pluta, Roman; Arteaga Arteaga, Fernando; Kumagai, Naoya; Shibasaki, Masakatsu
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	3
Pages of publication	710 - 713
a	18.8804 ± 0.0008 Å
b	7.5624 ± 0.0003 Å
c	18.9543 ± 0.0008 Å
α	90°
β	97.589 ± 0.007°
γ	90°
Cell volume	2682.6 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0959
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
191394 (current)	2017-02-04	cif/ Updating files of 1545165 Original log message: Adding full bibliography for 1545165.cif.	1545165.cif
190993	2017-01-27	cif/ Adding structures of 1545165 via cif-deposit CGI script.	1545165.cif