Information card for entry 2200019
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| Formula |
C54 H56 N4 |
| Calculated formula |
C54 H56 N4 |
| SMILES |
C1CN(CCN(CCCN(CCN(C1)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2)Cc1cccc2c1cccc2 |
| Title of publication |
<i>N,N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(1-naphthylmethyl)-1,4,8,11-tetraazacyclotetradecane |
| Authors of publication |
Kubo, Kanji; Yamamoto, Emi; Sakurai, Tadamitsu; Mori, Akira |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2001 |
| Journal volume |
57 |
| Journal issue |
1 |
| Pages of publication |
o1 - o3 |
| a |
11.609 ± 0.005 Å |
| b |
18.907 ± 0.005 Å |
| c |
9.878 ± 0.005 Å |
| α |
90° |
| β |
95.462 ± 0.005° |
| γ |
90° |
| Cell volume |
2158.3 ± 1.5 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/a 1 |
| Hall space group symbol |
-P 2yab |
| Residual factor for all reflections |
0.29 |
| Residual factor for significantly intense reflections |
0.052 |
| Weighted residual factors for all reflections included in the refinement |
0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.87 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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