Crystallography Open Database

Information card for entry 7159705

Preview

Coordinates	7159705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26
Calculated formula	C40 H26
Title of publication	Pyrene-bridged acenaphthenes: synthesis and properties of a diacenaphtho[1,2-<i>e</i>:1',2'-<i>l</i>]pyrene and its symmetrical nitrogen analogue.
Authors of publication	Polkaehn, Jonas; Ehlers, Peter; Villinger, Alexander; Langer, Peter
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	48
Pages of publication	9669 - 9676
a	5.1374 ± 0.0002 Å
b	19.8255 ± 0.0007 Å
c	12.6832 ± 0.0004 Å
α	90°
β	92.011 ± 0.001°
γ	90°
Cell volume	1291.01 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
288898 (current)	2024-01-06	cif/ Updating files of 7159705 Original log message: Adding full bibliography for 7159705.cif.	7159705.cif
288028	2023-12-05	cif/ Adding structures of 7159705 via cif-deposit CGI script.	7159705.cif