Crystallography Open Database

Information card for entry 4078865

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Structure parameters

Formula	C41 H42 F10 N2 O2 Si
Calculated formula	C41 H42 F10 N2 O2 Si
Title of publication	Reactivity Studies of a Stable N-Heterocyclic Silylene with Triphenylsilanol and Pentafluorophenol
Authors of publication	Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Granitzka, Markus; Stalke, Dietmar
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5506
a	12.375 ± 0.002 Å
b	20.977 ± 0.003 Å
c	15.757 ± 0.002 Å
α	90°
β	103.87 ± 0.02°
γ	90°
Cell volume	3971.1 ± 1.1 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4078865.cif
178677	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078865.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078865.cif
66420	2012-09-09	cif/ Adding structures of 4078865 via cif-deposit CGI script.	4078865.cif