Crystallography Open Database

Information card for entry 1570704

Preview

Coordinates	1570704.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole
Formula	C9 H10 O Te
Calculated formula	C9 H10 O Te
Title of publication	5,6-Dimethylbenzo[d][1,3]oxatellurole
Authors of publication	Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	1
Pages of publication	x231076
a	13.6947 ± 0.0012 Å
b	23.467 ± 0.002 Å
c	5.2287 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1680.4 ± 0.3 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570704.cif
288715	2024-01-06	cif/ Adding structures of 1570704 via cif-deposit CGI script.	1570704.cif