Crystallography Open Database

Information card for entry 7062749

Preview

Coordinates	7062749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Cl6 N4 O4 Te
Calculated formula	C32 H50 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	12.5174 ± 0.0004 Å
b	10.3774 ± 0.0003 Å
c	15.1349 ± 0.0005 Å
α	90°
β	91.9411 ± 0.0012°
γ	90°
Cell volume	1964.87 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7062749.cif
286481	2023-09-23	cif/ Adding structures of 7062748, 7062749, 7062750 via cif-deposit CGI script.	7062749.cif