Crystallography Open Database

Information card for entry 7225393

Preview

Coordinates	7225393.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,8-di(naphthalen-2-yl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane 4,8-di(naphthalen-2-yl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane
Formula	C44 H34 B2 O4 Si2
Calculated formula	C44 H34 B2 O4 Si2
Title of publication	Eight Membered Cyclic-Borasiloxanes: Synthesis, Structural, Photophysical, Steric Strain and DFT calculations
Authors of publication	Mohan, Gopalakrishnan; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai; Nallasamy, Palanisami
Journal of publication	RSC Adv.
Year of publication	2016
a	9.269 ± 0.006 Å
b	10.361 ± 0.007 Å
c	19.149 ± 0.012 Å
α	82.604 ± 0.009°
β	87.095 ± 0.007°
γ	83.427 ± 0.009°
Cell volume	1811 ± 2 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0858
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
183210 (current)	2016-06-01	cif/ Adding structures of 7225391, 7225392, 7225393 via cif-deposit CGI script.	7225393.cif