Crystallography Open Database

Information card for entry 1554573

Preview

Coordinates	1554573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N O3
Calculated formula	C10 H13 N O3
Title of publication	Enantioselective synthesis of 3-amino-hydrobenzofuran-2,5-diones via Cu(i)-catalyzed intramolecular conjugate addition of imino esters
Authors of publication	Yang, Wu-Lin; Sun, Zhong-Tao; Zhang, Jian; Li, Zhong; Deng, Wei-Ping
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	5
Pages of publication	579
a	6.9308 ± 0.0008 Å
b	6.9507 ± 0.0008 Å
c	11.8464 ± 0.0014 Å
α	84.194 ± 0.006°
β	79.023 ± 0.006°
γ	64.094 ± 0.006°
Cell volume	503.84 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1554573.html