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Information card for entry 4033486
Preview
Coordinates | 4033486.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H35 Br N O3 |
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Calculated formula | C44 H35 Br N O3 |
SMILES | Brc1ccc(N2C(=O)[C@@H]3[C@]4([C@H]5[C@@H]([C@@](c6c4c4c(c7c6cccc7)cccc4)(C)[C@@H]3C2=O)c2c3c(cccc53)ccc2)C(=O)C)cc1.C(CCC)CC |
Title of publication | Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Unsymmetrical α,ω-Diynes with Acenaphthylene. |
Authors of publication | Aida, Yukimasa; Shibata, Yu; Tanaka, Ken |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 5 |
Pages of publication | 2617 - 2626 |
a | 11.3679 ± 0.0013 Å |
b | 11.7476 ± 0.0011 Å |
c | 13.3386 ± 0.0013 Å |
α | 78.54 ± 0.008° |
β | 75.237 ± 0.009° |
γ | 76.104 ± 0.009° |
Cell volume | 1654.1 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1812 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.1905 |
Weighted residual factors for all reflections included in the refinement | 0.2422 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/4033486.html
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