Crystallography Open Database

Information card for entry 4029835

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Coordinates	4029835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N6 O6 S2
Calculated formula	C26 H30 N6 O6.01 S2
Title of publication	Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.
Authors of publication	Chen, Diao; Xu, Ming-Hua
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	16
Pages of publication	7746 - 7751
a	12.2469 ± 0.0006 Å
b	9.3854 ± 0.0005 Å
c	14.4662 ± 0.0007 Å
α	90°
β	103.089 ± 0.002°
γ	90°
Cell volume	1619.57 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0824
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2118
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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