Crystallography Open Database

Information card for entry 1543738

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Structure parameters

Common name	5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole
Chemical name	8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene
Formula	C26 H26 Si
Calculated formula	C26 H26 Si
SMILES	[Si]1(c2ccccc2c2ccccc12)(C1C(=Cc2ccccc12)C)CCCC
Title of publication	5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole
Authors of publication	Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	7
Pages of publication	x161151
a	7.49 ± 0.002 Å
b	18.968 ± 0.006 Å
c	28.635 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4068 ± 2 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	3
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	0.1154
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	0.855
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
184679 (current)	2016-07-27	cif/ hkl/ Adding structures of 1543738 via cif-deposit CGI script.	1543738.cif 1543738.hkl