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Information card for entry 4037332
Preview
Coordinates | 4037332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H19 I2 N |
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Calculated formula | C25 H19 I2 N |
SMILES | IC1=C(I)Cn2c3ccccc3c(c2C1(c1ccccc1)c1ccccc1)C |
Title of publication | Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization. |
Authors of publication | Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 22 |
Pages of publication | 10975 - 10986 |
a | 10.8712 ± 0.0002 Å |
b | 12.2577 ± 0.0003 Å |
c | 15.5456 ± 0.0003 Å |
α | 90° |
β | 90.4588 ± 0.0019° |
γ | 90° |
Cell volume | 2071.48 ± 0.07 Å3 |
Cell temperature | 154.89 ± 0.1 K |
Ambient diffraction temperature | 293 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 | 0.0498 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0665 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037332.html
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Users of the data should acknowledge the original authors of the
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