Crystallography Open Database

Information card for entry 7034433

Preview

Coordinates	7034433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 B F2 N2
Calculated formula	C23 H15 B F2 N2
SMILES	[B]1(F)(F)[n]2cccc2=C(c2n1ccc2)C#Cc1ccc(cc1)c1ccccc1
Title of publication	Meso enyne substituted BODIPYs: synthesis, structure and properties.
Authors of publication	Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	36
Pages of publication	15803 - 15812
a	17.0474 ± 0.0006 Å
b	13.3497 ± 0.0004 Å
c	49.6003 ± 0.0015 Å
α	90°
β	91.859 ± 0.003°
γ	90°
Cell volume	11282 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0984
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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