Crystallography Open Database

Information card for entry 7155748

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Structure parameters

Formula	C41 H26 Cl5 N O3
Calculated formula	C41 H26 Cl5 N O3
SMILES	c1ccccc1CN1C(=O)C2(c3cc(ccc13)Cl)c1c(c3ccc(cc3)Cl)oc3c1c(cc1c3cccc1)c1c2cc(cc1)OC.C(Cl)(Cl)Cl
Title of publication	Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles
Authors of publication	Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	10.794 ± 0.013 Å
b	12.84 ± 0.016 Å
c	13.826 ± 0.017 Å
α	68.88 ± 0.03°
β	77.77 ± 0.03°
γ	89.02 ± 0.03°
Cell volume	1743 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2459
Residual factor for significantly intense reflections	0.1424
Weighted residual factors for significantly intense reflections	0.316
Weighted residual factors for all reflections included in the refinement	0.3586
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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