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Information card for entry 1545526
Preview
Coordinates | 1545526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H24 N2 |
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Calculated formula | C32 H24 N2 |
SMILES | n1(ncc2c1c(c1ccccc1)c(c1ccccc1)c(c1ccccc1)c2c1ccccc1)C |
Title of publication | Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes. |
Authors of publication | Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 6 |
Pages of publication | 1450 - 1453 |
a | 12.6825 ± 0.0002 Å |
b | 14.4458 ± 0.0002 Å |
c | 13.1365 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2406.72 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0549 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/1545526.html
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Users of the data should acknowledge the original authors of the
structural data.