Information card for entry 7230673
| Chemical name |
6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane] |
| Formula |
C18 H23 N O4 |
| Calculated formula |
C18 H23 N O4 |
| Title of publication |
What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches |
| Authors of publication |
Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
23 |
| Pages of publication |
3207 |
| a |
12.735 ± 0.003 Å |
| b |
6.5866 ± 0.0009 Å |
| c |
18.883 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1583.9 ± 0.5 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
33 |
| Hermann-Mauguin space group symbol |
P n a 21 |
| Hall space group symbol |
P 2c -2n |
| Residual factor for all reflections |
0.0645 |
| Residual factor for significantly intense reflections |
0.049 |
| Weighted residual factors for significantly intense reflections |
0.1276 |
| Weighted residual factors for all reflections included in the refinement |
0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.945 |
| Diffraction radiation probe |
x-ray |
| 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/7230673.html
