Crystallography Open Database

Information card for entry 1565140

Preview

Coordinates	1565140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Br Mn N2 O3 P
Calculated formula	C26 H24 Br Mn N2 O3 P
SMILES	[Mn]12([P](c3ccccc3)(c3ccccc3)CCN2C2CCCc3ccc[n]1c23)(C#[O])(C#[O])C#[O].[Br-]
Title of publication	Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)
Authors of publication	Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	24
Pages of publication	8026 - 8036
a	9.1878 ± 0.0018 Å
b	28.171 ± 0.006 Å
c	10.117 ± 0.002 Å
α	90°
β	105.67 ± 0.03°
γ	90°
Cell volume	2521.3 ± 1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1849
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
271826 (current)	2022-01-06	cif/ Updating files of 1565138, 1565139, 1565140 Original log message: Adding full bibliography for 1565138--1565140.cif.	1565140.cif
270541	2021-11-10	cif/ Adding structures of 1565138, 1565139, 1565140 via cif-deposit CGI script.	1565140.cif