Crystallography Open Database

Information card for entry 7226062

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Structure parameters

Formula	C18 H17 N O3
Calculated formula	C18 H17 N O3
SMILES	O=C1[C@@H]2[C@]3(N[C@H]([C@H]1C=CC=C2)c1ccccc1)C(=O)OCC3.O=C1[C@H]2[C@@]3(N[C@@H]([C@@H]1C=CC=C2)c1ccccc1)C(=O)OCC3
Title of publication	Ag-Catalyzed Diastereoselective [6+3] Cycloaddition of Tropone with Homoserine Lactone-Derived Azomethine Ylides: Synthesis of Tricyclic Spiropiperidine
Authors of publication	Guo, Hongchao; Wu, Yang; Liu, Honglei; Zhang, Lei; Sun, Zhanhu; Xiao, Yumei; Huang, Jiaxing; Wang, Min
Journal of publication	RSC Adv.
Year of publication	2016
a	11.483 ± 0.002 Å
b	10.012 ± 0.002 Å
c	25.315 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2910.4 ± 1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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.	7226062.cif
184702	2016-07-28	cif/ Adding structures of 7226062 via cif-deposit CGI script.	7226062.cif