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Information card for entry 4027994
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Coordinates | 4027994.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | dimethyl (1RS, 3RS, 4RS, 5SR, 6SR, 7RS, 8SR, 9SR)- spiro[6-hydroxy-6-phenyl-5-propyltetracyclo[3.2.1.1^3,8^.0^4,7^] nonane-8,9-dicaboxylate-2,1'-cyclopropyl] |
Formula | C24 H28 O5 |
Calculated formula | C24 H28 O5 |
SMILES | O(C)C(=O)[C@@H]1[C@@]2([C@]3([C@](O)(c4ccccc4)[C@H]4[C@@H]2C2([C@@H]1[C@@H]34)CC2)CCC)C(=O)OC.O(C)C(=O)[C@H]1[C@]2([C@@]3([C@@](O)(c4ccccc4)[C@@H]4[C@H]2C2([C@H]1[C@H]34)CC2)CCC)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 | 8.5945 ± 0.0001 Å |
b | 11.1423 ± 0.0002 Å |
c | 11.3638 ± 0.0002 Å |
α | 88.382 ± 0.001° |
β | 79.091 ± 0.001° |
γ | 74.839 ± 0.001° |
Cell volume | 1031.11 ± 0.03 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 | 0.0436 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
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/4027994.html
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