Crystallography Open Database

Information card for entry 7239132

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Coordinates	7239132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H38 N2 O8 S
Calculated formula	C39 H38 N2 O8 S
Title of publication	Organocatalyzed aza-Michael‒Michael cascade reactions to construct spirooxindole tetrahydroquinolines with all-carbon chiral centers
Authors of publication	Huang, You-ming; Zheng, Chang-wu; Zhao, Gang
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	38
Pages of publication	16999
a	17.7927 ± 0.0014 Å
b	11.1432 ± 0.0009 Å
c	18.4952 ± 0.0015 Å
α	90°
β	102.033 ± 0.002°
γ	90°
Cell volume	3586.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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