Crystallography Open Database

Information card for entry 1507108

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Structure parameters

Formula	C38 H23 B F20 Si
Calculated formula	C38 H23 B F20 Si
SMILES	[c+]1(cccccc1)C[Si](CC)(CC)CC.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Solution and X-ray structure of triethylsilylmethyl-substituted tropylium cation.
Authors of publication	Hassall, Kathryn S.; White, Jonathan M.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	11
Pages of publication	1737 - 1739
a	7.9233 ± 0.0006 Å
b	12.9262 ± 0.0009 Å
c	18.1699 ± 0.0013 Å
α	99.297 ± 0.001°
β	92.86 ± 0.001°
γ	98.46 ± 0.001°
Cell volume	1811.3 ± 0.2 Å³
Cell temperature	130 ± 0.2 K
Ambient diffraction temperature	130 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507108.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507108.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507108.cif
51682	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507108 via cif-deposit CGI script.	1507108.cif