Crystallography Open Database

Information card for entry 7032690

Preview

Coordinates	7032690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H64 Li2 N4 O3 S2
Calculated formula	C42 H64 Li2 N4 O3 S2
Title of publication	Lithiated sulfoxides: α-sulfinyl functionalized carbanions.
Authors of publication	Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5323 - 5330
a	32.7559 ± 0.0017 Å
b	14.9684 ± 0.0008 Å
c	19.0716 ± 0.0011 Å
α	90°
β	96.636 ± 0.004°
γ	90°
Cell volume	9288.2 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	0.812
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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