Crystallography Open Database

Information card for entry 1546932

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Structure parameters

Formula	C18 H33 N O3 Si
Calculated formula	C18 H33 N O3 Si
SMILES	[Si](O)(C(/C=C1\NC(=O)OC21CCCCC2)(C)C)(C(C)C)C(C)C
Title of publication	Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C–H bond insertion cascades
Authors of publication	Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.
Journal of publication	Chem. Sci.
Year of publication	2017
a	9.4673 ± 0.0004 Å
b	9.5452 ± 0.0003 Å
c	11.9144 ± 0.0004 Å
α	112.855 ± 0.001°
β	99.013 ± 0.001°
γ	93.323 ± 0.002°
Cell volume	971.51 ± 0.06 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546932.cif
200154	2017-09-05	cif/ Adding structures of 1546932, 1546933, 1546934, 1546935, 1546936, 1546937 via cif-deposit CGI script.	1546932.cif