Crystallography Open Database

Information card for entry 7224580

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Structure parameters

Formula	C34 H32 N4 O4 S
Calculated formula	C34 H32 N4 O4 S
SMILES	S=C1N(NC(=O)c2ccccc2)[C@@H](c2ccccc2)[C@]2(N1)c1ccccc1N(C2=O)Cc1ccccc1.O=C(OCC)C.S=C1N(NC(=O)c2ccccc2)[C@H](c2ccccc2)[C@@]2(N1)c1ccccc1N(C2=O)Cc1ccccc1.O=C(OCC)C
Title of publication	Facile construction of novel imidazolidine-spirooxindoles via diastereoselective cycloaddition of N-acylhydrazine-derived imines with 3-isothiocyanato oxindoles
Authors of publication	Zhao, Hongwu; Li, Bo; Tian, Ting; song, xiuqing; Pang, Hai-Liang; Chen, Xiao-Qin; Yang, Zhao; Meng, Wei
Journal of publication	RSC Adv.
Year of publication	2016
a	9.984 ± 0.0013 Å
b	12.9333 ± 0.0014 Å
c	13.6529 ± 0.0018 Å
α	117.42 ± 0.007°
β	99.869 ± 0.013°
γ	96.128 ± 0.01°
Cell volume	1506.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0386
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224580.cif
178140	2016-03-11	cif/ Adding structures of 7224580 via cif-deposit CGI script.	7224580.cif