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Information card for entry 4029193
Preview
Coordinates | 4029193.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H28 N2 O3 |
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Calculated formula | C32 H28 N2 O3 |
SMILES | O=C(OC)C1[C@@H](C([C@@H]1/C=C/c1ccccc1)C(=O)Nc1cccc2c1nccc2)/C=C/c1ccccc1 |
Title of publication | Applications of C-h functionalization logic to cyclobutane synthesis. |
Authors of publication | Gutekunst, Will R.; Baran, Phil S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2430 - 2452 |
a | 6.364 ± 0.0003 Å |
b | 14.8688 ± 0.0007 Å |
c | 15.0929 ± 0.0007 Å |
α | 115.087 ± 0.003° |
β | 94.217 ± 0.003° |
γ | 99.764 ± 0.003° |
Cell volume | 1257.67 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029193.html
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Users of the data should acknowledge the original authors of the
structural data.