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Information card for entry 4027990
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Coordinates | 4027990.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | elimination product |
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Chemical name | Methyl endo-5-hydroxy-2-methyl-3-phenyltricyclo [4.3.1.0^4,9^]dec-2-ene-exo-10-carboxylate |
Formula | C19 H22 O3 |
Calculated formula | C19 H22 O3 |
SMILES | O(C)C(=O)[C@H]1[C@@H]2C(=C(c3ccccc3)[C@H]3[C@@H]2CC[C@@H]1[C@H]3O)C.O(C)C(=O)[C@@H]1[C@H]2C(=C(c3ccccc3)[C@@H]3[C@H]2CC[C@H]1[C@@H]3O)C |
Title of publication | Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores |
Authors of publication | Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2012 - 2025 |
a | 22.3257 ± 0.001 Å |
b | 21.0462 ± 0.0009 Å |
c | 21.4409 ± 0.001 Å |
α | 90° |
β | 107.855 ± 0.002° |
γ | 90° |
Cell volume | 9589.2 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1559 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1518 |
Weighted residual factors for all reflections included in the refinement | 0.231 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
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/4027990.html
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Users of the data should acknowledge the original authors of the
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