Crystallography Open Database

Information card for entry 1519299

1519298 << 1519299 >> 1519300

Preview

Coordinates	1519299.cif
External links	PubChem

Structure parameters

Formula	C32 H72 O12 Si8
Calculated formula	C32 H72 O12 Si8
SMILES	[Si]12(O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O[Si](O[Si](O2)(O1)CC(C)C)(O3)CC(C)C)(O4)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C
Title of publication	C32H72O12Si8
Authors of publication	Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	839
a	10.0025 ± 0.0003 Å
b	10.8274 ± 0.0004 Å
c	10.9642 ± 0.0004 Å
α	96.668 ± 0.002°
β	91.162 ± 0.002°
γ	99.392 ± 0.001°
Cell volume	1162.66 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519299.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519299.cif
135649	2015-05-06	cif/ Adding structures of 1519299 via cif-deposit CGI script.	1519299.cif