Crystallography Open Database

Information card for entry 1543399

Preview

Coordinates	1543399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 H19 N O3
Title of publication	A Light-Induced Vinylogous Nazarov-Type Cyclization.
Authors of publication	Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	3043 - 3045
a	12.0363 ± 0.0006 Å
b	17.5689 ± 0.0009 Å
c	14.3807 ± 0.0007 Å
α	90°
β	99.574 ± 0.004°
γ	90°
Cell volume	2998.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.088
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184949 (current)	2016-08-05	cif/ Updating files of 1543399, 1543400, 1543401, 1543402, 1543403, 1543404 Original log message: Adding full bibliography for 1543399--1543404.cif.	1543399.cif
183324	2016-06-11	cif/ Adding structures of 1543399 via cif-deposit CGI script.	1543399.cif