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Information card for entry 4028730
Preview
Coordinates | 4028730.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 N O |
---|---|
Calculated formula | C26 H21 N O |
SMILES | O=C1N2[C@]34[C@H](C1)c1c([C@H](c5c3cccc5)C[C@@H]4c3ccccc3C2)cccc1.O=C1N2[C@@]34[C@@H](C1)c1c([C@@H](c5c3cccc5)C[C@H]4c3ccccc3C2)cccc1 |
Title of publication | The Triflic Acid-Mediated Cyclization Reactions of N-Cinnamoyl-1-Naphthylamines |
Authors of publication | Frank D. King; Abil E. Aliev; Stephen Caddick; Derek A. Tocher |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 10938 - 10946 |
a | 9.5467 ± 0.0002 Å |
b | 14.4083 ± 0.0004 Å |
c | 13.2429 ± 0.0004 Å |
α | 90° |
β | 92.938 ± 0.003° |
γ | 90° |
Cell volume | 1819.19 ± 0.08 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0483 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4028730.html
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Users of the data should acknowledge the original authors of the
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