Crystallography Open Database

Information card for entry 1555358

Preview

Coordinates	1555358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 F6 N3 P Pd
Calculated formula	C25 H26 F6 N3 P Pd
SMILES	c12cccc[n]2[Pd]23([CH2]=[CH]2C3)[N](=C1)N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Pyridine-Hydrazones as N,N'-Ligands in Asymmetric Catalysis: Pd(II)-Catalyzed Addition of Boronic Acids to Cyclic Sulfonylketimines.
Authors of publication	Álvarez-Casao, Yolanda; Monge, David; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	20
Pages of publication	5104 - 5107
a	9.6947 ± 0.0012 Å
b	12.5617 ± 0.0014 Å
c	21.062 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2565 ± 0.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
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	0.0327
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238546 (current)	2019-11-24	cif/ Adding structures of 1555358 via cif-deposit CGI script.	1555358.cif