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Information card for entry 4027995
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Coordinates | 4027995.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | dimethyl 11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^] dodeca-4,9-diene-2,7-dicarboxylate |
Formula | C14 H14 O6 |
Calculated formula | C14 H14 O6 |
SMILES | O(C)C(=O)C12C(C(=O)OC)([C@H]3O[C@@H]1C=C3)[C@H]1O[C@@H]2C=C1.O(C)C(=O)C12C(C(=O)OC)([C@H]3O[C@@H]1C=C3)[C@@H]1O[C@H]2C=C1 |
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 | 7.6888 ± 0.0002 Å |
b | 25.3925 ± 0.0008 Å |
c | 12.9468 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2527.71 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1895 |
Weighted residual factors for all reflections included in the refinement | 0.1981 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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