Crystallography Open Database

Information card for entry 7150863

Preview

Coordinates	7150863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H53 B Cl F2 N3 O2
Calculated formula	C31 H53 B Cl F2 N3 O2
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	27.621 ± 0.008 Å
b	13.498 ± 0.003 Å
c	22.643 ± 0.006 Å
α	90°
β	128.066 ± 0.01°
γ	90°
Cell volume	6646 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.1324
Residual factor for significantly intense reflections	0.1199
Weighted residual factors for significantly intense reflections	0.3261
Weighted residual factors for all reflections included in the refinement	0.3307
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7150863.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150863.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150863.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.	7150863.cif