Crystallography Open Database

Information card for entry 4038786

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Coordinates	4038786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H25 F N2 O6 S
Calculated formula	C35 H25 F N2 O6 S
Title of publication	Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.
Authors of publication	Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	19
Pages of publication	12117 - 12127
a	15.1594 ± 0.0009 Å
b	13.7549 ± 0.0008 Å
c	14.4974 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3022.9 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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