Crystallography Open Database

Information card for entry 1519245

1519244 << 1519245 >> 1519246

Preview

Coordinates	1519245.cif
External links	PubChem

Structure parameters

Formula	C16 H24 O12 Si8
Calculated formula	C16 H24 O12 Si8
SMILES	[Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O1)(O[Si](O[Si](O2)(O4)C=C)(O5)C=C)C=C)C=C)C=C)C=C)C=C)C=C
Title of publication	C16H24O12Si8
Authors of publication	Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	838
a	8.824 ± 0.0005 Å
b	8.8434 ± 0.0005 Å
c	9.1388 ± 0.0006 Å
α	94.442 ± 0.002°
β	100.154 ± 0.003°
γ	94.77 ± 0.003°
Cell volume	696.45 ± 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	0.1255
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	0.914
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.	1519245.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.	1519245.cif
135565	2015-05-05	cif/ Adding structures of 1519245 via cif-deposit CGI script.	1519245.cif