Crystallography Open Database

Information card for entry 4513660

Preview

Coordinates	4513660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H50 Cl2 N6 S Si2
Calculated formula	C41 H50 Cl2 N6 S Si2
Title of publication	Highly Ordered Phenanthroline-Fused Azaacene
Authors of publication	An, Cunbin; Guo, Xin; Baumgarten, Martin
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5240
a	8.0609 ± 0.0006 Å
b	16.2948 ± 0.0011 Å
c	17.462 ± 0.0012 Å
α	70.798 ± 0.005°
β	85.053 ± 0.006°
γ	82.202 ± 0.006°
Cell volume	2143.9 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2024
Residual factor for significantly intense reflections	0.1389
Weighted residual factors for significantly intense reflections	0.3076
Weighted residual factors for all reflections included in the refinement	0.3425
Goodness-of-fit parameter for all reflections included in the refinement	1.805
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
170053 (current)	2015-11-06	cif/ Updating files of 4513659, 4513660 Original log message: Adding full bibliography for 4513659--4513660.cif.	4513660.cif
160579	2015-10-07	cif/ Adding structures of 4513660 via cif-deposit CGI script.	4513660.cif