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Information card for entry 1502319
Preview
Coordinates | 1502319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 O3 |
---|---|
Calculated formula | C27 H26 O3 |
SMILES | O1[C@@]([C@@H](c2c3ccccc3ccc2)C(=C1C)C(=O)OCC)(/C=C/c1ccccc1)C.O1[C@]([C@H](c2c3ccccc3ccc2)C(=C1C)C(=O)OCC)(/C=C/c1ccccc1)C |
Title of publication | Methylenecyclopropanes in [4+1] cycloaddition with enones. |
Authors of publication | Inami, Tasuku; Sako, Saori; Kurahashi, Takuya; Matsubara, Seijiro |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 15 |
Pages of publication | 3837 - 3839 |
a | 11.968 ± 0.0008 Å |
b | 19.9487 ± 0.0013 Å |
c | 9.6958 ± 0.0007 Å |
α | 90° |
β | 106.578 ± 0.001° |
γ | 90° |
Cell volume | 2218.6 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.219 |
Weighted residual factors for all reflections included in the refinement | 0.2446 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502319.html
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