Crystallography Open Database

Information card for entry 7150861

Preview

Coordinates	7150861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 B F2 N2 O2
Calculated formula	C15 H17 B F2 N2 O2
SMILES	CCc1ccc(C2=CC(c3ccc(CC)[nH]3)=[O][B](O2)(F)F)[nH]1
Title of publication	BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors
Authors of publication	Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	3
Pages of publication	433 - 436
a	9.272 ± 0.011 Å
b	11.368 ± 0.017 Å
c	16.05 ± 0.03 Å
α	98.48 ± 0.05°
β	104.48 ± 0.06°
γ	109.8 ± 0.03°
Cell volume	1490 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1228
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.2386
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180294 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/08.	7150861.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150861.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150861.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150861.cif