Crystallography Open Database

Information card for entry 2022711

2022710 << 2022711 >> 2022712

Preview

Coordinates	2022711.cif
Original IUCr paper	HTML

Structure parameters

Formula	C44 H26 F6
Calculated formula	C44 H26 F6
Title of publication	Two new cases of polymorphism in diagonally substituted rubrene derivatives.
Authors of publication	Clapham, Margaret L.; Douglas, Christopher J.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 4
Pages of publication	406 - 409
a	15.9782 ± 0.0006 Å
b	7.2762 ± 0.0002 Å
c	13.9814 ± 0.0006 Å
α	90°
β	102.701 ± 0.002°
γ	90°
Cell volume	1585.71 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283577 (current)	2023-05-06	cif/ Updating files of 2022709, 2022710, 2022711, 2022712 Original log message: Adding full bibliography for 2022709--2022712.cif.	2022711.cif
282399	2023-04-05	cif/ hkl/ Adding structures of 2022709, 2022710, 2022711, 2022712 via cif-deposit CGI script.	2022711.cif