Crystallography Open Database

Information card for entry 4026309

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Structure parameters

Formula	C17 H17 N3 O4 S
Calculated formula	C17 H17 N3 O4 S
Title of publication	Amino-Indanol-Catalyzed Asymmetric Michael Additions of Oxindoles to Protected 2-Amino-1-nitroethenes for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing α,β-Diamino Functionality
Authors of publication	Xiong-Li Liu; Zhi-Jun Wu; Xi-Lin Du; Xiao-Mei Zhang; Wei-Cheng Yuan
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	4008 - 4017
a	6.7056 ± 0.0011 Å
b	15.7761 ± 0.001 Å
c	8.0956 ± 0.0008 Å
α	90°
β	97.03 ± 0.012°
γ	90°
Cell volume	849.98 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0303
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4026309.cif
178442	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/63.	4026309.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026309.cif
38661	2012-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4026309 via cif-deposit CGI script.	4026309.cif