Crystallography Open Database

Information card for entry 7059533

Preview

Coordinates	7059533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H70 Cl2 S24
Calculated formula	C85 H70 Cl2 S24
Title of publication	Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles
Authors of publication	Salami, Fatemeh; Zhao, Yuming
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	22
Pages of publication	9179 - 9189
a	9.4384 ± 0.0001 Å
b	20.8406 ± 0.0003 Å
c	22.5998 ± 0.0001 Å
α	89.33 ± 0.001°
β	83.429 ± 0.001°
γ	83.113 ± 0.001°
Cell volume	4384.35 ± 0.08 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 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	0.0605
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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