Information card for entry 2015438
Chemical name |
(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium |
Formula |
C24 H36 B K O7 |
Calculated formula |
C24 H36 B K O7 |
SMILES |
[BH4-].[K]12345([O]6c7c([O]2CC[O]3CC[O]4c8c([O]5CC[O]1CC6)cccc8)cccc7)[O]1CCCC1 |
Title of publication |
(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium |
Authors of publication |
Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
7 |
Pages of publication |
m275 - m277 |
a |
9.5611 ± 0.0004 Å |
b |
9.9657 ± 0.0005 Å |
c |
26.2779 ± 0.0015 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2503.8 ± 0.2 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0652 |
Residual factor for significantly intense reflections |
0.0475 |
Weighted residual factors for significantly intense reflections |
0.1209 |
Weighted residual factors for all reflections included in the refinement |
0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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