Crystallography Open Database

Information card for entry 7246941

Preview

Coordinates	7246941.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Boc-L-Pro-Mn-Anderson
Formula	C81 H161.5 Mn Mo6 N9.5 O30
Calculated formula	C81 H161.5 Mn Mo6 N9.5 O30
Title of publication	A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
Authors of publication	Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	6263 - 6269
a	24.16 ± 0.0005 Å
b	14.7868 ± 0.0003 Å
c	33.2539 ± 0.0011 Å
α	90°
β	103.708 ± 0.003°
γ	90°
Cell volume	11541.5 ± 0.5 Å³
Cell temperature	109.3 ± 0.8 K
Ambient diffraction temperature	109.3 ± 0.8 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	0.1161
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286140 (current)	2023-09-05	cif/ Updating files of 7246941, 7246942 Original log message: Adding full bibliography for 7246941--7246942.cif.	7246941.cif
284637	2023-06-29	cif/ Adding structures of 7246941, 7246942 via cif-deposit CGI script.	7246941.cif