Crystallography Open Database

Information card for entry 1551468

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Structure parameters

Formula	C18 H23 O5 P Si
Calculated formula	C18 H23 O5 P Si
SMILES	P(=[O][Si]12(Oc3c(O1)cccc3)Oc1c(O2)cccc1)(CC)(CC)CC
Title of publication	Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity
Authors of publication	Hartmann, Deborah; Schädler, Marcel; Greb, Lutz
Journal of publication	Chemical Science
Year of publication	2019
a	10.012 ± 0.002 Å
b	15.717 ± 0.003 Å
c	12.437 ± 0.003 Å
α	90°
β	109.77 ± 0.03°
γ	90°
Cell volume	1841.7 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551468.cif
216033	2019-06-18	cif/ Adding structures of 1551458, 1551459, 1551460, 1551461, 1551462, 1551463, 1551464, 1551465, 1551466, 1551467, 1551468, 1551469 via cif-deposit CGI script.	1551468.cif