Crystallography Open Database

Information card for entry 4022220

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Structure parameters

Formula	C28 H20 Cl4 N2
Calculated formula	C28 H20 Cl4 N2
SMILES	Clc1cccc(Cl)c1/C=N/c1cccc(c1c1c(cccc1/N=C/c1c(Cl)cccc1Cl)C)C
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	7.8074 ± 0.0009 Å
b	14.9746 ± 0.0015 Å
c	11.063 ± 0.002 Å
α	90°
β	103.89 ± 0.001°
γ	90°
Cell volume	1255.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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