Information card for entry 2202175
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| Chemical name |
3-[3,3-Dimethylspiro[2,3-dihydro-1H-indole-2,3'-(3'H-naphtho[2,1-b] [1,4]oxazine)]-1-yl]propionic acid |
| Formula |
C24 H22 N2 O3 |
| Calculated formula |
C24 H22 N2 O3 |
| SMILES |
O1c2c(c3ccccc3cc2)N=CC21N(c1c(C2(C)C)cccc1)CCC(=O)O |
| Title of publication |
3-{3,3-Dimethylspiro[2,3-dihydro-1<i>H</i>-indole-2,3'-(3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazin)]-1-yl}propionic acid |
| Authors of publication |
Gao, Yu; Zou, Wuxin; Zhang, Wanxuan; Li, Jinshui; Meng, Jiben |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2003 |
| Journal volume |
59 |
| Journal issue |
2 |
| Pages of publication |
o135 - o137 |
| a |
13.373 ± 0.005 Å |
| b |
11.527 ± 0.004 Å |
| c |
13.485 ± 0.005 Å |
| α |
90° |
| β |
111.538 ± 0.006° |
| γ |
90° |
| Cell volume |
1933.6 ± 1.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.1 |
| Residual factor for significantly intense reflections |
0.046 |
| Weighted residual factors for significantly intense reflections |
0.104 |
| Weighted residual factors for all reflections included in the refinement |
0.123 |
| 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 |
Yes |
Version history
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