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Information card for entry 4021680
Preview
Coordinates | 4021680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H36 O4 |
---|---|
Calculated formula | C34 H36 O4 |
SMILES | O1[C@H]([C@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@@H]([C@@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@@H]([C@@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@H]([C@H](O)c2ccccc2)c2c(C1(C)C)cccc2 |
Title of publication | Synthesis of 1,3-Dihydrobenzo[c]furans from Ortho-Lithiated Aryloxiranes |
Authors of publication | Vito Capriati; Saverio Florio; Renzo Luisi; Filippo M. Perna; Antonio Salomone |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 3984 - 3987 |
a | 9.909 ± 0.0002 Å |
b | 13.439 ± 0.0002 Å |
c | 22.069 ± 0.0004 Å |
α | 90° |
β | 93.59 ± 0.0007° |
γ | 90° |
Cell volume | 2933.1 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1131 |
Residual factor for significantly intense reflections | 0.0878 |
Weighted residual factors for significantly intense reflections | 0.2571 |
Weighted residual factors for all reflections included in the refinement | 0.2771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4021680.html
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