Crystallography Open Database

Information card for entry 7248118

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Coordinates	7248118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108.85 H90.7 Cl0.7 O3.75
Calculated formula	C108.85 H90.7 Cl0.7 O3.75
Title of publication	Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties
Authors of publication	Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	8
Pages of publication	5331 - 5339
a	13.5911 ± 0.0003 Å
b	14.1632 ± 0.0004 Å
c	23.9764 ± 0.0006 Å
α	94.222 ± 0.002°
β	93.435 ± 0.002°
γ	106.38 ± 0.002°
Cell volume	4400.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1345
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.3072
Weighted residual factors for all reflections included in the refinement	0.3434
Goodness-of-fit parameter for all reflections included in the refinement	1.269
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289779 (current)	2024-02-10	cif/ Adding structures of 7248118, 7248119 via cif-deposit CGI script.	7248118.cif