Crystallography Open Database

Information card for entry 4035400

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Coordinates	4035400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl2 N2 Zn
Calculated formula	C16 H22 Cl2 N2 Zn
SMILES	[Zn](Cl)(Cl)([NH2][C@H](c1ccccc1)C)[NH2][C@@H](C)c1ccccc1
Title of publication	Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.
Authors of publication	Kinens, Artis; Balkaitis, Simonas; Suna, Edgars
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	20
Pages of publication	12449 - 12459
a	5.9816 ± 0.0001 Å
b	13.6923 ± 0.0003 Å
c	21.4173 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1754.12 ± 0.06 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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