Information card for entry 4035687
| Formula |
C17 H19 N O5 |
| Calculated formula |
C17 H19 N O5 |
| SMILES |
O=C1N[C@](O)([C@H](O)[C@]21OC(=C(C2=O)C)CC)Cc1ccccc1 |
| Title of publication |
Elucidation of Racemization Process of Azaspirene Skeleton in Neutral Aqueous Media. |
| Authors of publication |
Hirasawa, Shun; Mukai, Ken; Sakai, Shinnosuke; Wakamori, Shinnosuke; Hasegawa, Takahiro; Souma, Kazunori; Kanomata, Nobuhiro; Ogawa, Narihito; Aizawa, Mamoru; Emoto, Makoto |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
23 |
| Pages of publication |
14457 - 14464 |
| a |
10.8985 ± 0.0005 Å |
| b |
6.7166 ± 0.0004 Å |
| c |
11.0406 ± 0.0005 Å |
| α |
90° |
| β |
90.531 ± 0.003° |
| γ |
90° |
| Cell volume |
808.15 ± 0.07 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for significantly intense reflections |
0.0465 |
| Weighted residual factors for all reflections included in the refinement |
0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.232 |
| Diffraction radiation wavelength |
1.54187 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4035687.html
