Crystallography Open Database

Information card for entry 4027745

Preview

Coordinates	4027745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 O6 Si4
Calculated formula	C48 H72 O6 Si4
Title of publication	Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene
Authors of publication	Bharat Kumar; Benjamin T. King
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	10617 - 10622
a	12.117 ± 0.0007 Å
b	24.7548 ± 0.0014 Å
c	17.6157 ± 0.001 Å
α	90°
β	105.435 ± 0.001°
γ	90°
Cell volume	5093.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4027745.html