Crystallography Open Database

Information card for entry 4035401

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Coordinates	4035401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Cl2 N2 Zn
Calculated formula	C8 H18 Cl2 N2 Zn
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	6.933 ± 0.0002 Å
b	17.2571 ± 0.0004 Å
c	20.0543 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2399.37 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P c n b
Hall space group symbol	-P 2b 2ac
Residual factor for all reflections	0.1316
Residual factor for significantly intense reflections	0.1087
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.2686
Goodness-of-fit parameter for all reflections included in the refinement	1.225
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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