Crystallography Open Database

Information card for entry 7048420

Preview

Coordinates	7048420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 B2 S4
Calculated formula	C50 H46 B2 S4
Title of publication	Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.
Authors of publication	John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1871 - 1877
a	7.965 ± 0.002 Å
b	10.844 ± 0.003 Å
c	13.205 ± 0.004 Å
α	96.17 ± 0.02°
β	107.48 ± 0.02°
γ	100.62 ± 0.02°
Cell volume	1053 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1483
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	0.808
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
224012 (current)	2019-11-07	cif/ Updating files of 7048415, 7048416, 7048417, 7048418, 7048419, 7048420, 7048421, 7048422, 7048423, 7048424, 7048425, 7048426, 7048427, 7048428 Original log message: Adding full bibliography for 7048415--7048428.cif.	7048420.cif
212705	2018-12-21	cif/ Adding structures of 7048415, 7048416, 7048417, 7048418, 7048419, 7048420, 7048421, 7048422, 7048423, 7048424, 7048425, 7048426, 7048427, 7048428 via cif-deposit CGI script.	7048420.cif