Crystallography Open Database

Information card for entry 8000165

Preview

Coordinates	8000165.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dibenzo-7-silanorbornadiene
Chemical name	dibenzo-7-silanorbornadiene
Formula	C41 H70 Si7
Calculated formula	C41 H70 Si7
SMILES	[SiH]1(C2c3ccccc3C1c1ccccc21)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
Title of publication	Unexpected Reaction of an Overcrowded 9,10-Dihydroanthrylchlorosilane Leading to the Formation of a Dibenzo-7-silanorbornadiene Derivative
Authors of publication	Sasamori, Takahiro; Ozaki, Shuhei; Tokitoh, Norihiro
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	5
Pages of publication	588
a	12.6722 ± 0.0012 Å
b	14.2473 ± 0.0019 Å
c	14.8856 ± 0.0013 Å
α	100.369 ± 0.005°
β	92.3857 ± 0.0001°
γ	115.551 ± 0.004°
Cell volume	2363.5 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8000165.cif
94305	2014-01-22	cif/ Adding structures of 8000165 via cif-deposit CGI script.	8000165.cif