Crystallography Open Database

Information card for entry 7233079

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Coordinates	7233079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 B F2 N2 Si
Calculated formula	C22 H27 B F2 N2 Si
SMILES	[Si](c1cccc(C2=c3[n]([B](F)(F)n4c2c(cc4C)C)c(cc3C)C)c1)(C)(C)C
Title of publication	Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure
Authors of publication	Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy
Journal of publication	JOURNAL OF MATERIALS CHEMISTRY C
Year of publication	2013
Journal volume	1
Pages of publication	4691 - 4698
a	30.7303 ± 0.0015 Å
b	6.5809 ± 0.0003 Å
c	20.933 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4233.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
216977 (current)	2019-07-12	cif/ Adding structures of 7233079 via cif-deposit CGI script.	7233079.cif