Information card for entry 7001413
Chemical name |
3,12-diselena-18-aza-tricyclo[12.3.1.0^5,10^]octadeca- 1(17),5,7,9,14(18),15-hexaene |
Formula |
C15 H15 N Se2 |
Calculated formula |
C15 H15 N Se2 |
SMILES |
[Se]1Cc2ccccc2C[Se]Cc2nc(ccc2)C1 |
Title of publication |
Selenoether macrocyclic chemistry‒syntheses and ligand properties of new small-ring Se3- and Se2N-donor macrocycles |
Authors of publication |
Levason, William; Manning, Joanna M.; Reid, Gillian; Tuggey, Matthew; Webster, Michael |
Journal of publication |
Dalton Transactions |
Year of publication |
2009 |
Journal issue |
23 |
Pages of publication |
4569 - 4577 |
a |
8.368 ± 0.002 Å |
b |
8.925 ± 0.002 Å |
c |
9.562 ± 0.003 Å |
α |
100.295 ± 0.015° |
β |
90.724 ± 0.01° |
γ |
105.652 ± 0.01° |
Cell volume |
675.2 ± 0.3 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0775 |
Residual factor for significantly intense reflections |
0.0562 |
Weighted residual factors for significantly intense reflections |
0.1513 |
Weighted residual factors for all reflections included in the refinement |
0.1627 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.112 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7001413.html