Crystallography Open Database

Information card for entry 7231813

Preview

Coordinates	7231813.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Formula	C9.5 H11 B0.5 Cl0.5 F2 N
Calculated formula	C9.5 H11 B0.5 Cl0.5 F2 N
Title of publication	Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands
Authors of publication	Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	67
Pages of publication	38346
a	9.9401 ± 0.0014 Å
b	9.9401 ± 0.0014 Å
c	19.673 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1943.8 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211971 (current)	2018-11-15	cif/ Adding structures of 7231812, 7231813, 7231814, 7231815 via cif-deposit CGI script.	7231813.cif