Crystallography Open Database

Information card for entry 7118252

Preview

Coordinates	7118252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O4
Calculated formula	C19 H15 N O4
SMILES	c12ccccc1OC(=O)[C@]1([C@@H]2CN=C1c1ccccc1)C(=O)OC.c12ccccc1OC(=O)[C@@]1([C@H]2CN=C1c1ccccc1)C(=O)OC
Title of publication	Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.
Authors of publication	Zhu, Xu; Chiba, Shunsuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2473 - 2476
a	8.3566 ± 0.0006 Å
b	17.7311 ± 0.0014 Å
c	10.5304 ± 0.0007 Å
α	90°
β	101.637 ± 0.005°
γ	90°
Cell volume	1528.24 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1519
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
175868 (current)	2016-02-04	cif/ Updating files of 7118247, 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 Original log message: Adding full bibliography for 7118247--7118254.cif.	7118252.cif
173476	2016-01-05	cif/ Adding structures of 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 via cif-deposit CGI script.	7118252.cif