Crystallography Open Database

Information card for entry 7132507

Preview

Coordinates	7132507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 N2 S2
Calculated formula	C26 H46 N2 S2
Title of publication	Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.
Authors of publication	Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	13
Pages of publication	1739 - 1742
a	12.2275 ± 0.001 Å
b	7.8196 ± 0.0006 Å
c	27.4908 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2628.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290093 (current)	2024-03-04	cif/ Updating files of 7132505, 7132506, 7132507, 7132508, 7132509, 7132510, 7132511, 7132512, 7132513, 7132514 Original log message: Adding full bibliography for 7132505--7132514.cif.	7132507.cif
288422	2023-12-20	cif/ Adding structures of 7132505, 7132506, 7132507, 7132508, 7132509, 7132510, 7132511, 7132512, 7132513, 7132514 via cif-deposit CGI script.	7132507.cif