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Information card for entry 1555676
Preview
Coordinates | 1555676.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 N |
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Calculated formula | C23 H25 N |
SMILES | n1c2c(c3c(cc4c(c3)CC(C4)(C)C)c1)cc1CC(Cc1c2)(C)C |
Title of publication | Thermal Cycloisomerization of Putative Allenylpyridines for the Synthesis of Isoquinoline Derivatives. |
Authors of publication | Morrison, Alec E.; Hrudka, Jeremy J.; Dudley, Gregory B. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 16 |
Pages of publication | 4104 - 4107 |
a | 7.1533 ± 0.0015 Å |
b | 10.925 ± 0.002 Å |
c | 12.115 ± 0.003 Å |
α | 75.115 ± 0.003° |
β | 77.43 ± 0.003° |
γ | 81.256 ± 0.003° |
Cell volume | 888.4 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1067 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1558 |
Weighted residual factors for all reflections included in the refinement | 0.1898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/1555676.html
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Users of the data should acknowledge the original authors of the
structural data.