Crystallography Open Database

Information card for entry 1519518

1519517 << 1519518 >> 1519519

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Coordinates	1519518.cif
External links	PubChem

Structure parameters

Formula	C24 H36 O18 Si12
Calculated formula	C24 H36 O18 Si12
SMILES	[Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si](O[Si]6(O[Si](O[Si]7(O[Si](O[Si](O4)(O[Si](O[Si](O6)(O5)C=C)(O7)C=C)C=C)(O2)C=C)C=C)(O1)C=C)C=C)(O3)C=C)C=C)C=C)C=C)C=C
Title of publication	C24H36O18Si12
Authors of publication	Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	934
a	17.4597 ± 0.0007 Å
b	17.3538 ± 0.0007 Å
c	28.3363 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8585.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.3015
Residual factor for significantly intense reflections	0.1434
Weighted residual factors for significantly intense reflections	0.3186
Weighted residual factors for all reflections included in the refinement	0.3783
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1519518.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519518.cif
136097	2015-05-12	cif/ Adding structures of 1519518 via cif-deposit CGI script.	1519518.cif