Crystallography Open Database

Information card for entry 7132508

Preview

Coordinates	7132508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 F3 Li N O4 S
Calculated formula	C16 H27 F3 Li N O4 S
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	11.4316 ± 0.0006 Å
b	17.5255 ± 0.0009 Å
c	10.7728 ± 0.0006 Å
α	90°
β	101.125 ± 0.005°
γ	90°
Cell volume	2117.7 ± 0.2 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
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	0.0717
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
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.	7132508.cif
288422	2023-12-20	cif/ Adding structures of 7132505, 7132506, 7132507, 7132508, 7132509, 7132510, 7132511, 7132512, 7132513, 7132514 via cif-deposit CGI script.	7132508.cif