Crystallography Open Database

Information card for entry 1543308

Preview

Coordinates	1543308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H58 Cu F6 N2 O P3
Calculated formula	C61 H58 Cu F6 N2 O P3
SMILES	[Cu]12([P](c3cc(cc(c3)C)C)(c3ccc4c(c3c3c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)ccc1c3cccc1)cccc4)c1cc(cc(c1)C)C)[O]=C(N1c3[n]2cccc3CC1)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.
Authors of publication	Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	2391 - 2394
a	12.8125 ± 0.0002 Å
b	15.5638 ± 0.0003 Å
c	16.7344 ± 0.0003 Å
α	90°
β	110.994 ± 0.008°
γ	90°
Cell volume	3115.51 ± 0.19 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184961 (current)	2016-08-05	cif/ Updating files of 1543304, 1543305, 1543306, 1543307, 1543308, 1543309 Original log message: Adding full bibliography for 1543304--1543309.cif.	1543308.cif
182913	2016-05-13	cif/ Adding structures of 1543308 via cif-deposit CGI script.	1543308.cif