Crystallography Open Database

Information card for entry 7113051

Preview

Coordinates	7113051.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9,10-dihexyl-triptycene
Formula	C32 H38
Calculated formula	C32 H38
Title of publication	Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry.
Authors of publication	Williams, Kyle A.; Bielawski, Christopher W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5166 - 5168
a	69.417 ± 0.014 Å
b	8.3391 ± 0.0017 Å
c	33.478 ± 0.007 Å
α	90°
β	117.24 ± 0.03°
γ	90°
Cell volume	17230 ± 8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113051.cif
112223	2014-04-30	cif/ Adding structures of 7113050, 7113051, 7113052, 7113053 via cif-deposit CGI script.	7113051.cif