Crystallography Open Database

Information card for entry 1573989

Preview

Coordinates	1573989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Br Fe O2
Calculated formula	C18 H15 Br Fe O2
Title of publication	Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.
Authors of publication	Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	5880 - 5886
a	7.613 ± 0.0005 Å
b	8.5829 ± 0.0004 Å
c	12.8193 ± 0.0007 Å
α	80.36 ± 0.004°
β	73.628 ± 0.005°
γ	82.082 ± 0.005°
Cell volume	788.68 ± 0.08 Å³
Cell temperature	219.99 ± 0.1 K
Ambient diffraction temperature	219.99 ± 0.1 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298832 (current)	2025-04-05	cif/ Updating files of 1573989 Original log message: Adding full bibliography for 1573989.cif.	1573989.cif
297882	2025-02-27	cif/ Adding structures of 1573989 via cif-deposit CGI script.	1573989.cif