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Information card for entry 4027993
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Coordinates | 4027993.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | dimethyl (1RS, 2RS, 3RS, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[4-ethyl-3-hydroxy-3-phenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane] |
Formula | C24 H28 O5 |
Calculated formula | C24 H28 O5 |
SMILES | O(C)C(=O)[C@H]1[C@]2([C@@H]3[C@H]([C@@](O)(c4ccccc4)[C@H]4[C@@H]3[C@@H]1C1(CC1)[C@@H]24)CC)C(=O)OC.O(C)C(=O)[C@@H]1[C@@]2([C@H]3[C@@H]([C@](O)(c4ccccc4)[C@@H]4[C@H]3[C@H]1C1(CC1)[C@H]24)CC)C(=O)OC |
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 | 9.6324 ± 0.0012 Å |
b | 14.8876 ± 0.0019 Å |
c | 16.35 ± 0.002 Å |
α | 68.818 ± 0.007° |
β | 89.637 ± 0.007° |
γ | 73.735 ± 0.007° |
Cell volume | 2086.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0869 |
Residual factor for significantly intense reflections | 0.0771 |
Weighted residual factors for significantly intense reflections | 0.203 |
Weighted residual factors for all reflections included in the refinement | 0.2168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4027993.html
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Users of the data should acknowledge the original authors of the
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