Crystallography Open Database

Information card for entry 7231814

Preview

Coordinates	7231814.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7H+
Formula	C19.5 H24 B Cl F4 N2 O
Calculated formula	C19.5 H24 B Cl F4 N2 O
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	9.1627 ± 0.0018 Å
b	8.6433 ± 0.0017 Å
c	26.423 ± 0.005 Å
α	90°
β	91.17 ± 0.03°
γ	90°
Cell volume	2092.2 ± 0.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
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
211971 (current)	2018-11-15	cif/ Adding structures of 7231812, 7231813, 7231814, 7231815 via cif-deposit CGI script.	7231814.cif