Crystallography Open Database

Information card for entry 4023506

Preview

Coordinates	4023506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H96 Ag4 Cl4 N4 O18 S8
Calculated formula	C74 H88 Ag4 Cl4 N4 O18 S8
Title of publication	Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly
Authors of publication	Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	4859 - 4864
a	10.9118 ± 0.0007 Å
b	13.9513 ± 0.0009 Å
c	16.0627 ± 0.001 Å
α	103.793 ± 0.005°
β	108.602 ± 0.006°
γ	103.178 ± 0.005°
Cell volume	2124.4 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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