Information card for entry 7036303
| Formula |
C25 H26 N2 O2 |
| Calculated formula |
C25 H26 N2 O2 |
| SMILES |
OC(=C\C(=N\c1c(c(/N=C/c2c(O)ccc3ccccc23)c(cc1C)C)C)C)/C |
| Title of publication |
Self-assembled copper(ii) metallacycles derived from asymmetric Schiff base ligands: efficient hosts for ADP/ATP in phosphate buffer. |
| Authors of publication |
Kumar, Amit; Pandey, Rampal; Kumar, Ashish; Gupta, Rakesh Kumar; Dubey, Mrigendra; Mohammed, Akbar; Mobin, Shaikh M.; Pandey, Daya Shankar |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
39 |
| Pages of publication |
17152 - 17165 |
| a |
8.0864 ± 0.0004 Å |
| b |
9.4932 ± 0.0005 Å |
| c |
14.1197 ± 0.0006 Å |
| α |
76.55 ± 0.004° |
| β |
81.398 ± 0.004° |
| γ |
86.999 ± 0.004° |
| Cell volume |
1042.15 ± 0.09 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.158 |
| Residual factor for significantly intense reflections |
0.0745 |
| Weighted residual factors for significantly intense reflections |
0.1945 |
| Weighted residual factors for all reflections included in the refinement |
0.2516 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7036303.html
