Information card for entry 2009029
Chemical name |
(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide |
Formula |
C15 H27 Br N2 |
Calculated formula |
C15 H27 Br N2 |
SMILES |
[Br-].N12CCCC[C@H]1[C@H]1C[C@@H](C2)[C@@H]2[NH+](C1)CCCC2 |
Title of publication |
(‒)-Sparteinium bromide |
Authors of publication |
Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1999 |
Journal volume |
55 |
Journal issue |
10 |
Pages of publication |
1710 - 1711 |
a |
8.3779 ± 0.0005 Å |
b |
10.7496 ± 0.0008 Å |
c |
8.3805 ± 0.0005 Å |
α |
90° |
β |
101.099 ± 0.006° |
γ |
90° |
Cell volume |
740.62 ± 0.08 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.091 |
Residual factor for significantly intense reflections |
0.079 |
Weighted residual factors for all reflections included in the refinement |
0.228 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.099 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2009029.html