Crystallography Open Database

Information card for entry 4024897

Preview

Coordinates	4024897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H11 B F10 N2
Calculated formula	C27 H11 B F10 N2
SMILES	[B]1(c2ccccc2C=[N]1n1ccc2ccccc12)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion
Authors of publication	Junro Yoshino; Naokazu Kano; Takayuki Kawashima
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	7496 - 7503
a	46.257 ± 0.014 Å
b	14.155 ± 0.004 Å
c	14.734 ± 0.004 Å
α	90°
β	106.447 ± 0.0011°
γ	90°
Cell volume	9252 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0357
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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