Information card for entry 2212504
Common name |
Ethyl 2,3-dihydro-1H,1'H-2,3'-biindol-1-yl(oxo)acetate |
Chemical name |
Ethyl (2,3-dihydro-1H,1'H-2,3'-biindol-1-yl)glyoxylate |
Formula |
C20 H18 N2 O3 |
Calculated formula |
C20 H18 N2 O3 |
SMILES |
C1C(N(c2ccccc12)C(=O)C(=O)OCC)c1c[nH]c2ccccc12 |
Title of publication |
Ethyl (2,3-dihydro-1<i>H</i>,1'<i>H</i>-2,3'-biindol-1-yl)glyoxylate |
Authors of publication |
Christian Peifer; Dimitri Ott; Schollmeyer, Dieter; Stefan Laufer |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
3 |
Pages of publication |
o1415 - o1417 |
a |
8.441 ± 0.003 Å |
b |
9.596 ± 0.003 Å |
c |
10.925 ± 0.004 Å |
α |
96.11 ± 0.02° |
β |
96.49 ± 0.03° |
γ |
106.13 ± 0.02° |
Cell volume |
835.8 ± 0.5 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 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 |
0.0506 |
Residual factor for significantly intense reflections |
0.0499 |
Weighted residual factors for significantly intense reflections |
0.1459 |
Weighted residual factors for all reflections included in the refinement |
0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.073 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2212504.html