Crystallography Open Database

Information card for entry 4086815

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Structure parameters

Formula	C26 H21 N Si
Calculated formula	C26 H21 N Si
SMILES	[Si]1(c2c3ccccc3n(C)c2c2cc3ccccc3cc12)(c1ccccc1)C
Title of publication	Catalytic Access to Indole-Fused Benzosiloles by 2-Fold Electrophilic C–H Silylation with Dihydrosilanes
Authors of publication	Omann, Lukas; Oestreich, Martin
Journal of publication	Organometallics
Year of publication	2016
Journal volume	36
Journal issue	4
Pages of publication	767
a	8.30541 ± 0.00006 Å
b	24.67353 ± 0.00018 Å
c	38.1106 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7809.77 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4086815.cif
193613	2017-03-04	cif/ Updating files of 4086814, 4086815 Original log message: Adding full bibliography for 4086814--4086815.cif.	4086815.cif
189665	2017-01-01	cif/ Adding structures of 4086814, 4086815 via cif-deposit CGI script.	4086815.cif