Information card for entry 2230343
Chemical name |
Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate |
Formula |
C15 H15 N O3 |
Calculated formula |
C15 H15 N O3 |
SMILES |
O=C1C(CCc2c1c1ccccc1[nH]2)C(=O)OCC |
Title of publication |
Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate |
Authors of publication |
Gündoğdu, Cevher; Göçmentürk, Mustafa; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1470 - o1471 |
a |
9.1057 ± 0.0003 Å |
b |
12.7031 ± 0.0004 Å |
c |
21.3874 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2473.89 ± 0.13 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0599 |
Residual factor for significantly intense reflections |
0.0416 |
Weighted residual factors for significantly intense reflections |
0.0935 |
Weighted residual factors for all reflections included in the refinement |
0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230343.html