Crystallography Open Database

Information card for entry 1542655

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Structure parameters

Formula	C24 H26 N4 O4
Calculated formula	C24 H26 N4 O4
SMILES	O(C(=O)N1[C@@H](N2N([C@@]31c1ccccc1N(C3=O)C)C(=O)CC2)c1ccccc1)C(C)(C)C.O(C(=O)N1[C@H](N2N([C@]31c1ccccc1N(C3=O)C)C(=O)CC2)c1ccccc1)C(C)(C)C
Title of publication	Diastereoselective 1,3-Dipolar Cycloadditions of N,N'-Cyclic Azomethine Imines with Iminooxindoles for Access to Oxindole Spiro-N,N-bicyclic Heterocycles.
Authors of publication	Zhao, Hong-Wu; Li, Bo; Pang, Hai-Liang; Tian, Ting; Chen, Xiao-Qin; Song, Xiu-Qing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	848 - 851
a	9.715 ± 0.003 Å
b	10.003 ± 0.003 Å
c	13.038 ± 0.003 Å
α	105.483 ± 0.005°
β	98.771 ± 0.002°
γ	111.44 ± 0.004°
Cell volume	1091.5 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0558
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1542655.cif
177304	2016-03-04	cif/ Adding structures of 1542655 via cif-deposit CGI script.	1542655.cif