Crystallography Open Database

Information card for entry 7158423

Preview

Coordinates	7158423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Se2
Calculated formula	C15 H12 Se2
Title of publication	Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.
Authors of publication	Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	48
Pages of publication	10565 - 10569
a	17.1924 ± 0.0002 Å
b	17.1924 ± 0.0002 Å
c	8.8177 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2606.32 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0147
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0369
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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

Version history

Revision	Date	Message	Files
271875 (current)	2022-01-06	cif/ Updating files of 7158423, 7158424 Original log message: Adding full bibliography for 7158423--7158424.cif.	7158423.cif
270954	2021-12-01	cif/ Adding structures of 7158423, 7158424 via cif-deposit CGI script.	7158423.cif