Crystallography Open Database

Information card for entry 7156888

Preview

Coordinates	7156888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N O6
Calculated formula	C16 H21 N O6
Title of publication	Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.
Authors of publication	Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	25
Pages of publication	6251 - 6268
a	5.4441 ± 0.0003 Å
b	18.1287 ± 0.0008 Å
c	8.5243 ± 0.0004 Å
α	90°
β	95.698 ± 0.003°
γ	90°
Cell volume	837.14 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	0.873
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225172 (current)	2019-11-08	cif/ Updating files of 7156888 Original log message: Adding full bibliography for 7156888.cif.	7156888.cif
215646	2019-06-01	cif/ Adding structures of 7156888 via cif-deposit CGI script.	7156888.cif