Crystallography Open Database

Information card for entry 7062748

Preview

Coordinates	7062748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Cl6 F6 N2 O2 Te
Calculated formula	C28 H34 Cl6 F6 N2 O2 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	19.5893 ± 0.0016 Å
b	7.4413 ± 0.0006 Å
c	23.8477 ± 0.0019 Å
α	90°
β	90.8384 ± 0.0012°
γ	90°
Cell volume	3475.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7062748.cif
286481	2023-09-23	cif/ Adding structures of 7062748, 7062749, 7062750 via cif-deposit CGI script.	7062748.cif