Crystallography Open Database

Information card for entry 4518826

Preview

Coordinates	4518826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Br Mn N3 O3
Calculated formula	C16 H19 Br Mn N3 O3
Title of publication	Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones
Authors of publication	Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	13
Pages of publication	8033 - 8041
a	10.2602 ± 0.0009 Å
b	10.2602 ± 0.0009 Å
c	61.043 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	5565.2 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1
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
266956 (current)	2021-07-04	cif/ Updating files of 4518826, 4518827 Original log message: Adding full bibliography for 4518826--4518827.cif.	4518826.cif
266539	2021-06-18	cif/ Adding structures of 4518826 via cif-deposit CGI script.	4518826.cif