Crystallography Open Database

Information card for entry 7122716

Preview

Structure parameters

Formula	C18 H15 Cl N2 O5
Calculated formula	C18 H15 Cl N2 O5
Title of publication	Facile Synthesis of Chiral [2,3]-Fused Hydrobenzofuran via Asymmetric Cu(I)-Catalyzed Dearomative 1,3-Dipolar Cycloaddition
Authors of publication	Liang, Lei; Niu, Hongying; Wang, Dong-Chao; Yang, Xinhe; Qu, Gui-Rong; Guo, Hai-Ming
Journal of publication	Chemical Communications
Year of publication	2018
a	11.0671 ± 0.0002 Å
b	11.0671 ± 0.0002 Å
c	11.8214 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1253.91 ± 0.04 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7122716.cif
212507	2018-12-11	cif/ Adding structures of 7122716 via cif-deposit CGI script.	7122716.cif