Crystallography Open Database

Information card for entry 7127279

Preview

Coordinates	7127279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl2 Mn N7 O9
Calculated formula	C28 H37 Cl2 Mn N7 O9
Title of publication	Ligand regulation for manganese-catalyzed enantioselective epoxidation of olefins without acid.
Authors of publication	Xu, Daqian; Sun, Qiangsheng; Lin, Jin; Sun, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13101 - 13104
a	8.8444 ± 0.0008 Å
b	14.0029 ± 0.0013 Å
c	13.7453 ± 0.0013 Å
α	90°
β	99.99 ± 0.002°
γ	90°
Cell volume	1676.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
260606 (current)	2021-01-07	cif/ Updating files of 7127279 Original log message: Adding full bibliography for 7127279.cif.	7127279.cif
256511	2020-09-18	cif/ Adding structures of 7127279 via cif-deposit CGI script.	7127279.cif