Crystallography Open Database

Information card for entry 7035950

Preview

Coordinates	7035950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H44 F6 Ni O P2
Calculated formula	C33 H44 F6 Ni O P2
Title of publication	Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.
Authors of publication	Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	35
Pages of publication	15653 - 15663
a	14.9903 ± 0.0005 Å
b	17.0446 ± 0.0008 Å
c	26.6128 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6799.7 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
161305 (current)	2015-10-09	cif/ Updating files of 7035948, 7035949, 7035950 Original log message: Adding full bibliography for 7035948--7035950.cif.	7035950.cif
152503	2015-07-24	cif/ Adding structures of 7035948, 7035949, 7035950 via cif-deposit CGI script.	7035950.cif