Crystallography Open Database

Information card for entry 7061069

Preview

Coordinates	7061069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N2 O3
Calculated formula	C25 H30 N2 O3
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	7.4497 ± 0.0002 Å
b	15.2211 ± 0.0005 Å
c	19.6694 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2230.36 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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.	7061069.cif
270767	2021-11-20	cif/ Adding structures of 7061069, 7061070, 7061071, 7061072, 7061073 via cif-deposit CGI script.	7061069.cif