Crystallography Open Database

Information card for entry 4074308

Preview

Structure parameters

Formula	C24 H54 N4 O Si2
Calculated formula	C24 H54 N4 O Si2
SMILES	O([SiH]1N(C(C)(C)C)[C@@H]([C@@H](C)N1C(C)(C)C)C)[SiH]1N(C(C)(C)C)[C@H](C)[C@@H](C)N1C(C)(C)C.O([SiH]1N(C(C)(C)C)[C@H]([C@H](C)N1C(C)(C)C)C)[SiH]1N(C(C)(C)C)[C@@H](C)[C@H](C)N1C(C)(C)C
Title of publication	A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture
Authors of publication	Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3802
a	16.9689 ± 0.0016 Å
b	12.9934 ± 0.0012 Å
c	13.3075 ± 0.0013 Å
α	90°
β	97.011 ± 0.002°
γ	90°
Cell volume	2912.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0542
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4074308.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074308.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074308.cif
48303	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074308 via cif-deposit CGI script.	4074308.cif