Crystallography Open Database

Information card for entry 2238827

Preview

Coordinates	2238827.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
Formula	C10 H22 Br2 N2
Calculated formula	C10 H22 Br2 N2
SMILES	[C@@H]1(CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1.[Br-].[Br-]
Title of publication	(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
Authors of publication	Yang, Guang; Noll, Bruce C.; Rybak-Akimova, Elena V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1711
a	17.9719 ± 0.0009 Å
b	9.7654 ± 0.0005 Å
c	7.3637 ± 0.0003 Å
α	90°
β	92.134 ± 0.001°
γ	90°
Cell volume	1291.45 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0212
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0449
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238827.cif
91252	2013-12-09	cif/ Adding structures of 2238827 via cif-deposit CGI script.	2238827.cif