Crystallography Open Database

Information card for entry 7037527

Preview

Coordinates	7037527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F2 N2
Calculated formula	C16 H14 F2 N2
Title of publication	B(C6F5)3-catalyzed metal-free hydrogenation of 3,6-diarylpyridazines.
Authors of publication	Wang, Wei; Meng, Wei; Du, Haifeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	5945 - 5948
a	5.633 ± 0.002 Å
b	10.581 ± 0.004 Å
c	11.33 ± 0.005 Å
α	97.097 ± 0.006°
β	103.762 ± 0.008°
γ	92.953 ± 0.004°
Cell volume	648.6 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
181719 (current)	2016-04-05	cif/ Updating files of 7037527 Original log message: Adding full bibliography for 7037527.cif.	7037527.cif
170713	2015-12-04	cif/ Adding structures of 7037527 via cif-deposit CGI script.	7037527.cif