Crystallography Open Database

Information card for entry 7127661

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Coordinates	7127661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 F6 N2 O6 S2
Calculated formula	C24 H36 F6 N2 O6 S2
Title of publication	Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.
Authors of publication	Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	10
Pages of publication	1210 - 1213
a	16.0963 ± 0.0007 Å
b	12.0415 ± 0.0005 Å
c	14.8878 ± 0.0006 Å
α	90°
β	92.041 ± 0.004°
γ	90°
Cell volume	2883.8 ± 0.2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.114
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2351
Weighted residual factors for all reflections included in the refinement	0.2437
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
262470 (current)	2021-03-05	cif/ Updating files of 7127659, 7127660, 7127661, 7127662, 7127663, 7127664, 7127665, 7127666, 7127667, 7127668, 7127669, 7127670 Original log message: Adding full bibliography for 7127659--7127670.cif.	7127661.cif
259980	2020-12-19	cif/ Adding structures of 7127659, 7127660, 7127661, 7127662, 7127663, 7127664, 7127665, 7127666, 7127667, 7127668, 7127669, 7127670 via cif-deposit CGI script.	7127661.cif