Crystallography Open Database

Information card for entry 4130368

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Structure parameters

Formula	C39 H38 Si
Calculated formula	C39 H38 Si
SMILES	[Si]1(C2c3ccccc3C1c1ccccc21)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
Title of publication	Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.
Authors of publication	Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	18
Pages of publication	6061 - 6067
a	19.6428 ± 0.001 Å
b	9.1623 ± 0.0005 Å
c	33.756 ± 0.002 Å
α	90°
β	94.1615 ± 0.0015°
γ	90°
Cell volume	6059.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4130368.cif
240828	2019-11-25	cif/ Adding structures of 4130368 via cif-deposit CGI script.	4130368.cif