Crystallography Open Database

Information card for entry 4022218

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Coordinates	4022218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H82 Cl2 Cu2 F6 N4 O6 S2
Calculated formula	C75 H82 Cl2 Cu2 F6 N4 O6 S2
Title of publication	Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases
Authors of publication	Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	3450 - 3458
a	11.4466 ± 0.0006 Å
b	18.114 ± 0.0009 Å
c	19.5085 ± 0.0006 Å
α	69.387 ± 0.001°
β	78.246 ± 0.001°
γ	82.443 ± 0.001°
Cell volume	3698.7 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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