Crystallography Open Database

Information card for entry 1519304

1519303 << 1519304 >> 1519305

Preview

Coordinates	1519304.cif
External links	PubChem

Structure parameters

Formula	C20 H31 N O3 Si
Calculated formula	C20 H31 N O3 Si
SMILES	N(=O)(=O)c1ccc(cc1)C1OC/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1
Title of publication	Triisopropyl-(5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl)silane
Authors of publication	Hursthouse, Michael B.; Light, Mark E.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	123
a	14.6339 ± 0.0003 Å
b	7.7463 ± 0.0001 Å
c	35.8752 ± 0.0007 Å
α	90°
β	91.066 ± 0.003°
γ	90°
Cell volume	4066.06 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2006
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1954
Weighted residual factors for all reflections included in the refinement	0.2539
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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.	1519304.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.	1519304.cif
135654	2015-05-06	cif/ Adding structures of 1519304 via cif-deposit CGI script.	1519304.cif