Crystallography Open Database

Information card for entry 7153934

Preview

Coordinates	7153934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O4 S
Calculated formula	C30 H28 O4 S
SMILES	S(c1ccc(OC)cc1)C(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.
Authors of publication	Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	32
Pages of publication	6076 - 6079
a	9.694 ± 0.003 Å
b	9.672 ± 0.003 Å
c	27.021 ± 0.008 Å
α	90°
β	95.745 ± 0.003°
γ	90°
Cell volume	2520.8 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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