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Information card for entry 4026723
Preview
Coordinates | 4026723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 O6 |
---|---|
Calculated formula | C19 H22 O6 |
SMILES | O1C(=O)C2=C[C@H](C(OCC)(OCC)C[C@H]2c2ccccc12)C(=O)OC |
Title of publication | Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction |
Authors of publication | Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 9015 - 9030 |
a | 7.939 ± 0.002 Å |
b | 13.091 ± 0.003 Å |
c | 16.816 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1747.7 ± 0.7 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0831 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71075 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/4026723.html
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Users of the data should acknowledge the original authors of the
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