Crystallography Open Database

Information card for entry 1553512

Preview

Coordinates	1553512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H31 Cl2 N O2
Calculated formula	C40.999 H30.998 Cl1.998 N O2
Title of publication	A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides
Authors of publication	Seifert, Sabine; Schmidt, David; Würthner, Frank
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	11
Pages of publication	1435
a	9.1392 ± 0.0002 Å
b	13.2716 ± 0.0003 Å
c	13.7699 ± 0.0003 Å
α	77.608 ± 0.001°
β	76.026 ± 0.001°
γ	84.909 ± 0.001°
Cell volume	1581.79 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1553512.html