Information card for entry 1558563
Chemical name |
Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) |
Formula |
C29 H25 F N2 O4 |
Calculated formula |
C29 H25 F N2 O4 |
SMILES |
Fc1cccc(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)c1 |
Title of publication |
Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) |
Authors of publication |
Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian |
Journal of publication |
IUCrData |
Year of publication |
2020 |
Journal volume |
5 |
Journal issue |
7 |
Pages of publication |
x200912 |
a |
8.996 ± 0.0018 Å |
b |
15.921 ± 0.003 Å |
c |
18.297 ± 0.004 Å |
α |
90° |
β |
102.59 ± 0.03° |
γ |
90° |
Cell volume |
2557.6 ± 0.9 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
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 |
0.3412 |
Residual factor for significantly intense reflections |
0.1426 |
Weighted residual factors for significantly intense reflections |
0.2527 |
Weighted residual factors for all reflections included in the refinement |
0.3063 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.296 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/1558563.html