Crystallography Open Database

Information card for entry 4022216

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Coordinates	4022216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 B Cl8 Cu F4 N4
Calculated formula	C34 H26 B Cl8 Cu F4 N4
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	13.2095 ± 0.0005 Å
b	23.9347 ± 0.0005 Å
c	25.5398 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8074.8 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.264
Weighted residual factors for all reflections included in the refinement	0.2723
Goodness-of-fit parameter for all reflections included in the refinement	2.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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