Crystallography Open Database

Information card for entry 7157276

Preview

Structure parameters

Formula	C32 H33 F N2 O6
Calculated formula	C32 H33 F N2 O6
Title of publication	Silver/palladium relay catalyzed 1,3-dipole annulation/allylation reactions to access fully substituted allyl imidazolidines.
Authors of publication	Han, Ruiping; Ding, Yue; Jin, Xueke; Li, Er-Qing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	4
Pages of publication	646 - 649
a	10.31491 ± 0.00015 Å
b	22.9483 ± 0.0003 Å
c	13.02398 ± 0.00018 Å
α	90°
β	101.4 ± 0.0014°
γ	90°
Cell volume	3022.08 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157276.cif
247812	2020-02-04	cif/ Updating files of 7157276 Original log message: Adding full bibliography for 7157276.cif.	7157276.cif
246321	2019-12-31	cif/ Adding structures of 7157276 via cif-deposit CGI script.	7157276.cif