Information card for entry 2222375
Chemical name |
6-Phenyl-5a,6,6a,7,12,13a-hexahydro-5<i>H</i>-benzo[6,7]indolizino[3,2- <i>a</i>]pyrrolizine |
Formula |
C23 H22 N2 |
Calculated formula |
C23 H22 N2 |
SMILES |
N12[C@@H](Cc3c(C1)cccc3)[C@H]([C@H]1[C@@H]2c2n(ccc2)C1)c1ccccc1.N12[C@H](Cc3c(C1)cccc3)[C@@H]([C@@H]1[C@H]2c2n(ccc2)C1)c1ccccc1 |
Title of publication |
6-Phenyl-5a,6,6a,7,12,13a-hexahydro-5<i>H</i>-benzo[6,7]indolizino[3,2-<i>a</i>]pyrrolizine |
Authors of publication |
Gunasekaran, B.; Kathiravan, S.; Raghunathan, R.; Renuga, V.; Manivannan, V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1454 |
a |
14.0694 ± 0.0014 Å |
b |
5.93 ± 0.0005 Å |
c |
21.177 ± 0.002 Å |
α |
90° |
β |
104.563 ± 0.003° |
γ |
90° |
Cell volume |
1710.1 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.074 |
Residual factor for significantly intense reflections |
0.0492 |
Weighted residual factors for significantly intense reflections |
0.1304 |
Weighted residual factors for all reflections included in the refinement |
0.149 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.014 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2222375.html