Crystallography Open Database

Information card for entry 4516795

Preview

Coordinates	4516795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 N2 O4
Calculated formula	C34 H34 N2 O4
SMILES	N1([C@@H](c2ccccc2OC)CC(=C(C(=O)OCC)[C@@H]1c1c(OC)cccc1)Nc1ccccc1)c1ccccc1.N1([C@H](c2ccccc2OC)CC(=C([C@H]1c1c(OC)cccc1)C(=O)OCC)Nc1ccccc1)c1ccccc1
Title of publication	Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles.
Authors of publication	Asadi, Beheshteh; Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Amiri Rudbari, Hadi
Journal of publication	ACS combinatorial science
Year of publication	2017
Journal volume	19
Journal issue	6
Pages of publication	356 - 364
a	14.612 ± 0.003 Å
b	31.468 ± 0.006 Å
c	12.38 ± 0.003 Å
α	90°
β	90.29 ± 0.03°
γ	90°
Cell volume	5692 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1688
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	0.829
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
239543 (current)	2019-11-24	cif/ Adding structures of 4516795 via cif-deposit CGI script.	4516795.cif