Crystallography Open Database

Information card for entry 7062750

Preview

Coordinates	7062750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H46 Cl6 N4 O4 Te
Calculated formula	C22 H46 Cl6 N4 O4 Te
Title of publication	Unusual tellurium(iv) mediated cyclisation diols into dihydroxazoles with potential anticancer activity
Authors of publication	D’Arcy, Kenneth; Schäfer, Tim; De Franco, Michele; Ricco, Raffaele; Gandin, Valentina; Sanz Miguel, Pablo J.; Montagner, Diego
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	39
Pages of publication	18485 - 18491
a	15.539 ± 0.0014 Å
b	12.2853 ± 0.0011 Å
c	17.8374 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3405.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
287388 (current)	2023-11-06	cif/ Updating files of 7062748, 7062749, 7062750 Original log message: Adding full bibliography for 7062748--7062750.cif.	7062750.cif
286481	2023-09-23	cif/ Adding structures of 7062748, 7062749, 7062750 via cif-deposit CGI script.	7062750.cif