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Information card for entry 4516095
Preview
Coordinates | 4516095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H29 I N O4 |
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Calculated formula | C35 H30 I N O3 |
SMILES | Ic1c(c2ccccc2)c(c2c(OC)cc(OC)cc2OC)c2n(c3c(c2c1c1ccc(cc1)C)cccc3)C |
Title of publication | Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration. |
Authors of publication | Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan |
Journal of publication | ACS omega |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 11 |
Pages of publication | 15024 - 15034 |
a | 14.6664 ± 0.0012 Å |
b | 10.081 ± 0.0006 Å |
c | 40.221 ± 0.002 Å |
α | 90° |
β | 97.759 ± 0.007° |
γ | 90° |
Cell volume | 5892.3 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1439 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4516095.html
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