Crystallography Open Database

Information card for entry 1543403

Preview

Coordinates	1543403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O2
Calculated formula	C20 H21 N O2
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	10.1906 ± 0.0011 Å
b	12.049 ± 0.0014 Å
c	14.4573 ± 0.0015 Å
α	110.513 ± 0.009°
β	90.495 ± 0.009°
γ	93.15 ± 0.009°
Cell volume	1659.4 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	1543403.cif
183329	2016-06-11	cif/ Adding structures of 1543403 via cif-deposit CGI script.	1543403.cif