Information card for entry 1560708
Chemical name |
Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate |
Formula |
C28 H24 N3 O6.5 |
Calculated formula |
C28 H24 N3 O6.5 |
SMILES |
N(=O)(=O)c1ccc(C(c2c3ccccc3[nH]c2C(=O)OC)c2c3ccccc3[nH]c2C(=O)OC)cc1.OCC |
Title of publication |
Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate |
Authors of publication |
Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong |
Journal of publication |
IUCrData |
Year of publication |
2021 |
Journal volume |
6 |
Journal issue |
2 |
Pages of publication |
x210057 |
a |
18.248 ± 0.004 Å |
b |
10.304 ± 0.002 Å |
c |
27.541 ± 0.006 Å |
α |
90° |
β |
101.41 ± 0.03° |
γ |
90° |
Cell volume |
5076.1 ± 1.9 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/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.2491 |
Residual factor for significantly intense reflections |
0.104 |
Weighted residual factors for significantly intense reflections |
0.16 |
Weighted residual factors for all reflections included in the refinement |
0.2129 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.198 |
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/1560708.html