Crystallography Open Database

Information card for entry 7127659

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Coordinates	7127659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 F6 N2 O6 S2
Calculated formula	C20 H34 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	10.2198 ± 0.0006 Å
b	24.316 ± 0.0012 Å
c	11.2287 ± 0.0006 Å
α	90°
β	104.852 ± 0.006°
γ	90°
Cell volume	2697.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.063
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7127659.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.	7127659.cif