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Information card for entry 4026709
Preview
Coordinates | 4026709.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetramethyl 2(SR),5(SR)‒bis(4‒methoxyphenyl)cyclohexane‒1,1,4,4‒tetracarboxylate |
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Formula | C28 H32 O10 |
Calculated formula | C28 H32 O10 |
SMILES | C1(C[C@H](C(C[C@H]1c1ccc(OC)cc1)(C(=O)OC)C(=O)OC)c1ccc(OC)cc1)(C(=O)OC)C(=O)OC.C1(C[C@@H](C(C[C@@H]1c1ccc(OC)cc1)(C(=O)OC)C(=O)OC)c1ccc(OC)cc1)(C(=O)OC)C(=O)OC |
Title of publication | (3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings |
Authors of publication | Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8852 - 8868 |
a | 16.6656 ± 0.0008 Å |
b | 9.5746 ± 0.0005 Å |
c | 18.642 ± 0.0009 Å |
α | 90° |
β | 114.9 ± 0.01° |
γ | 90° |
Cell volume | 2698.1 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026709.html
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