Crystallography Open Database

Information card for entry 1553208

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Structure parameters

Formula	C24 H25 N3 O2
Calculated formula	C24 H25 N3 O2
SMILES	O=C1N(c2ccccc2[C@]1(C)CC[C@H]1ON=C(C1(C)C)c1ccc(cc1)C#N)C.O=C1N(c2ccccc2[C@@]1(C)CC[C@@H]1ON=C(C1(C)C)c1ccc(cc1)C#N)C
Title of publication	Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes
Authors of publication	Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	184
a	7.1121 ± 0.0007 Å
b	8.5933 ± 0.001 Å
c	18.426 ± 0.002 Å
α	94.339 ± 0.01°
β	100.719 ± 0.01°
γ	105.418 ± 0.01°
Cell volume	1057.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1438
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553208.cif
233701	2019-11-23	cif/ Adding structures of 1553208, 1553209 via cif-deposit CGI script.	1553208.cif