Crystallography Open Database

Information card for entry 7157720

Preview

Coordinates	7157720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 N2 O2
Calculated formula	C17 H16 N2 O2
Title of publication	Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.
Authors of publication	Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	40
Pages of publication	8209 - 8218
a	11.2384 ± 0.0006 Å
b	10.343 ± 0.0005 Å
c	13.5036 ± 0.0008 Å
α	90°
β	107.74 ± 0.006°
γ	90°
Cell volume	1495 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0851
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
258965 (current)	2020-11-06	cif/ Updating files of 7157719, 7157720 Original log message: Adding full bibliography for 7157719--7157720.cif.	7157720.cif
256804	2020-09-27	cif/ Adding structures of 7157719, 7157720 via cif-deposit CGI script.	7157720.cif