Crystallography Open Database

Information card for entry 7061070

Preview

Coordinates	7061070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl N
Calculated formula	C18 H28 Cl N
Title of publication	Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases
Authors of publication	Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	48
Pages of publication	22579 - 22590
a	11.0788 ± 0.0017 Å
b	7.5785 ± 0.0011 Å
c	11.6867 ± 0.0018 Å
α	90°
β	118.618 ± 0.005°
γ	90°
Cell volume	861.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
271866 (current)	2022-01-06	cif/ Updating files of 7061069, 7061070, 7061071, 7061072, 7061073 Original log message: Adding full bibliography for 7061069--7061073.cif.	7061070.cif
270767	2021-11-20	cif/ Adding structures of 7061069, 7061070, 7061071, 7061072, 7061073 via cif-deposit CGI script.	7061070.cif